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from __future__ import print_function """ NBody in N^2 complexity Note that we are using only Newtonian forces and do not consider relativity Neither do we consider collisions between stars Thus some of our stars will accelerate to speeds beyond c This is done to keep the simulation simple enough for teaching purpose...
bh107/benchpress
benchpress/benchmarks/nbody/python_numpy/nbody.py
Python
apache-2.0
3,326
[ "Galaxy", "Gaussian" ]
0d051e032f2518472143696916a8e5e637450556be135fbbb415fae44174967a
# coding=utf-8 # Copyright 2018 The Tensor2Tensor Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable...
mlperf/training_results_v0.5
v0.5.0/google/research_v3.32/gnmt-tpuv3-32/code/gnmt/model/t2t/tensor2tensor/models/mtf_transformer.py
Python
apache-2.0
43,327
[ "MOE" ]
10c12d9c3134d9b7342662e3c0d7893c6eed25f5cd5bc667405beb2df49f2d67
# Orca # # Copyright 2006-2008 Sun Microsystems Inc. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This...
Alberto-Beralix/Beralix
i386-squashfs-root/usr/share/pyshared/orca/orca_platform.py
Python
gpl-3.0
1,404
[ "ORCA" ]
73daa779530d0f13bbf9084065b5c2360aabc759ec6b5a3c3ab52d94834ca346
""" parser.http.movieParser module (imdb package). This module provides the classes (and the instances), used to parse the IMDb pages on the akas.imdb.com server about a movie. E.g., for Brian De Palma's "The Untouchables", the referred pages would be: combined details: http://akas.imdb.com/title/tt0094226/combi...
p4u/hmdb
imdb/parser/http/movieParser.py
Python
agpl-3.0
79,826
[ "Brian" ]
92d0a4672da0212e6a33859d9ba3754f213369b1864658dffc4416835e8e4b63
# -*- coding: utf-8 -*- # Copyright 2020 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
sasha-gitg/python-aiplatform
tests/unit/gapic/aiplatform_v1beta1/test_index_service.py
Python
apache-2.0
87,670
[ "Octopus" ]
0d9deebb00612f7c9dd17ad7195974483fb164760ced20279e06815446f9b6ed
#!/usr/bin/env python desc="""Heterozygous genome assembly pipeline. It consists of three steps: reduction, scaffolding and gap closing. More info at: http://bit.ly/Redundans TBA: - reduction - split contigs on likely problems (fasta2qc.py) - add exception if lastdb or lastal doesn't finish successfully - pyScaf sh...
lpryszcz/redundans
redundans.py
Python
gpl-2.0
25,135
[ "BWA" ]
4c59b54d338a62e2ac23365d6e0995eecc27b92c31597eb14a191b8d15594e07
#!/usr/bin/env python import sys import subprocess import shlex if __name__ == '__main__': failures = [] if len(sys.argv) < 4: print 'Usage: %s <alexalist.csv> <top-x-sites> <iterations>' % sys.argv[0] exit(1) top_x_sites = int(sys.argv[2]) iterations = int(sys.argv[3]) success =...
cs-au-dk/Artemis
artemis-code/tests/alexa/run.py
Python
gpl-3.0
1,441
[ "VisIt" ]
28b82b255c2441edf5311f36b8011ade091374a96184b85f76af0d4d9d8da48c
"""Stores properties associated with the class of an object (DEPRECATED). This module is deprecated, and is expected to be removed in the next release. If you use this module, please contact the Biopython developers via the mailing lists. """ #NOTE - Adding a deprecation warning would affect Bio.Alphabet.IUPAC # Wou...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/PropertyManager.py
Python
gpl-2.0
2,895
[ "Biopython" ]
f6f12967522d86ac39dc4de436719808e2366ac6c5e54974d8fa9e6f3d835e14
#!/usr/bin/env python """ Read a maf and print the text as a fasta file. """ #Dan Blankenberg import sys from galaxy import eggs import pkg_resources; pkg_resources.require( "bx-python" ) from bx.align import maf from galaxy.tools.util import maf_utilities assert sys.version_info[:2] >= ( 2, 4 ) def __main__(): ...
dbcls/dbcls-galaxy
tools/maf/maf_to_fasta_multiple_sets.py
Python
mit
1,574
[ "Galaxy" ]
0ecbee092279720247f53c01febda8d75de9d928e5f5e26c46e3cb0a681fdbc0
""" test_Record.py This file is part of ANNarchy. Copyright (C) 2013-2016 Joseph Gussev <joseph.gussev@s2012.tu-chemnitz.de>, Helge Uelo Dinkelbach <helge.dinkelbach@gmail.com> This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public L...
ANNarchy/ANNarchy
tests/Unittests/test_Record.py
Python
gpl-2.0
7,815
[ "NEURON" ]
49161febdcfb38b481547d9b5a41333ef325d5cd26df68a848961b43deba0c31
""" Created on Apr 8, 2013 @author: briank USB_driver.py - USB Driver module. This will interface various PyHouse modules to a USB device. This may be instanced as many times as there are USB devices to control. This should also allow control of many different houses. """ __updated__ = '2019-10-08' __author__ = '...
DBrianKimmel/PyHouse
Project/src/Modules/Core/Drivers/Usb/Driver_Hid.py
Python
mit
8,343
[ "Brian" ]
e0b0a2f17bdff369cc8f7d3b1a00323f639d1e6745bd5b0509e5f78cb5462b7b
#!/usr/bin/env python # -*- coding: utf-8 -*- """Example script for evaluation with the nc2map module This script is part of the nc2map Python module, version 0.0b. It's a quite advanced script showing you the main features in the (currently implemented) fldmean and violin plot evaluation routines. It creates the outp...
Chilipp/nc2map
demo/evaluators_demo.py
Python
gpl-2.0
4,806
[ "NetCDF" ]
33b0023a14b0a323ccc8d998ec491f65fd4ef8018b20a7322d5eacff69267903
from __future__ import (absolute_import, division, print_function) import os import numpy as np from mantid import config, mtd, logger from mantid.kernel import StringListValidator, Direction from mantid.api import PythonAlgorithm, MultipleFileProperty, FileProperty, \ WorkspaceGroupProperty, FileAction, Progress ...
ScreamingUdder/mantid
Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/IndirectILLEnergyTransfer.py
Python
gpl-3.0
17,107
[ "CRYSTAL" ]
f0c5dcc7ee5769d3b6e63accef87362fa966b6d5208c97baa38b68b0caaee89a
# -*- Mode: Python; coding: utf-8; indent-tabs-mode: nil; tab-width: 4 -*- ### BEGIN LICENSE # Copyright (C) 2014 Brian Douglass bhdouglass@gmail.com # This program is free software: you can redistribute it and/or modify it # under the terms of the GNU General Public License version 3, as published # by the Free Softwa...
bhdouglass/agui
agui/awidgets/tree_view.py
Python
gpl-3.0
1,393
[ "Brian" ]
c2b172e75a097f04ed6290ea682e833e5e13c226dd60c6f589c5ddc9c7ff08f0
# -*- coding: utf-8 -*- """ =================================================================== Determining and plotting the altitude/azimuth of a celestial object =================================================================== This example demonstrates coordinate transformations and the creation of visibility cur...
stargaser/astropy
examples/coordinates/plot_obs-planning.py
Python
bsd-3-clause
6,298
[ "VisIt" ]
c70e746177c9963a5fbaf04e61d0f2d02b990385eaf2c901d6857a53b6358b57
#!/usr/bin/env python3 import sys import argparse import numpy as np from mapTools import * from utilities import filesFromList, writeLog from plotTools import addImagePlot import matplotlib.pyplot as plt ''' Description: Author: Mikko Auvinen mikko.auvinen@helsinki.fi University of Helsinki & ...
mjsauvinen/P4UL
pyRaster/rasterTileSuperposition.py
Python
mit
5,276
[ "Gaussian" ]
0bbd6f161028550ca7e5ceb9e4cec3c9e1bb38457934ce6c7e239f22df336830
# Audio Tools, a module and set of tools for manipulating audio data # Copyright (C) 2007-2016 Brian Langenberger # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the Licens...
tuffy/python-audio-tools
audiotools/vorbiscomment.py
Python
gpl-2.0
25,399
[ "Brian" ]
f7cf3e929d28677311bdef3ee4dc11ad3fabfa5f9cc97ed159022402dd357172
"""Support for Ecobee Thermostats.""" import collections from typing import Optional import voluptuous as vol from homeassistant.components.climate import ClimateDevice from homeassistant.components.climate.const import ( HVAC_MODE_COOL, HVAC_MODE_HEAT, HVAC_MODE_AUTO, HVAC_MODE_OFF, ATTR_TARGET_T...
joopert/home-assistant
homeassistant/components/ecobee/climate.py
Python
apache-2.0
24,128
[ "VisIt" ]
230c18f5a01891850327d7077baddfa5dc7ad2fdbbab40d5d7071be887d8dd27
# -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
googleapis/python-compute
tests/unit/gapic/compute_v1/test_global_operations.py
Python
apache-2.0
87,954
[ "Octopus" ]
cef7c48cb303b4065119b7c5c942fc6f6e0c8cd5e2a35d9a4aaf480f3874450d
""" The B{0install add-feed} command-line interface. """ # Copyright (C) 2011, Thomas Leonard # See the README file for details, or visit http://0install.net. from __future__ import print_function from zeroinstall import SafeException, _ from zeroinstall.support import tasks, raw_input from zeroinstall.cmd import Us...
rammstein/0install
zeroinstall/cmd/add_feed.py
Python
lgpl-2.1
3,489
[ "VisIt" ]
a4ffbd3b63d7fc10f3e402cd83b04c078a08781f3ff731cd00ae7ba4f7715123
""" This is a test of the chain ReqClient -> ReqManagerHandler -> ReqDB It supposes that the DB is present, and that the service is running """ # pylint: disable=invalid-name,wrong-import-position from DIRAC.Core.Base.Script import parseCommandLine parseCommandLine() import unittest import sys from DIRAC i...
andresailer/DIRAC
tests/Integration/RequestManagementSystem/Test_Client_Req.py
Python
gpl-3.0
12,304
[ "DIRAC" ]
87814d071aaad2ffe26c345318ef6166b1e5ccaf1a88a21be9e8fae2e83e150c
import psi4 import re import os import inputparser import math import warnings from driver import * from wrappers import * from molutil import * import p4util from psiexceptions import * def run_fvno(name, **kwargs): r"""Function encoding sequence of PSI module and plugin calls so that fvno can be called via ...
lothian/fvno
pymodule.py
Python
lgpl-3.0
1,180
[ "Psi4" ]
d1b1cc5cc341185f6aa1d647d62eea5e349889c73b70306c9af83315b2775432
""" gpo.py - optimization using Gaussian process regression. Marcus Frean. usage: python gpo.py [datafile] Reads a initial set of input vectors (x) from the file. Output (y) values for these (and any future) x are given by one of the functions in testFunctions.py The task is then to choose where to sample next. E...
garibaldu/ego-demo
safe-demo-gpo.py
Python
gpl-2.0
7,832
[ "Gaussian" ]
fcdc6de0731d7946a57331b304ed34f21bc26297502d466b1513895148c3e7df
# $HeadURL$ """ Collection of DIRAC useful network related modules by default on Error they return None getAllInterfaces and getAddressFromInterface do not work in MAC """ __RCSID__ = "$Id$" import socket import urlparse import struct import array import os import fcntl import platform from DIRAC.Core.Utilit...
Sbalbp/DIRAC
Core/Utilities/Network.py
Python
gpl-3.0
3,982
[ "DIRAC" ]
06b021f9bfa466c0a6c6143c1976a3e200b8149e2085df6a4a32a25ef9330e33
from ase.transport.calculators import TransportCalculator import numpy as np #Aux. function to write data to a text file. def write(fname,xs,ys): fd = open(fname,'w') for x,y in zip(xs,ys): print >> fd, x, y fd.close() H_lead = np.zeros([4,4]) # On-site energies are zero for i in range(4): H_...
freephys/python_ase
ase/transport/test_transport_calulator.py
Python
gpl-3.0
2,194
[ "ASE" ]
50976375eb87447f755c0a5077971bf1d4808d813302dfb5bada3aacef3c010e
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import json import os import unittest import warnings import numpy from monty.serialization import loadfn from pymatgen.core.lattice import Lattice from pymatgen.electronic_structure.bandstructure import ( BandStructure...
materialsproject/pymatgen
pymatgen/electronic_structure/tests/test_bandstructure.py
Python
mit
24,824
[ "VASP", "pymatgen" ]
04c48a4a98376dc2845af2e37d3cc509614bf866facd86ef59ef76c986c2bfbc
from rdkit import RDConfig, rdBase, Chem from io import StringIO, BytesIO from rdkit.Chem import PandasTools import numpy import unittest import tempfile import shutil import os import gzip import doctest if (getattr(doctest, 'ELLIPSIS_MARKER')): doctest.ELLIPSIS_MARKER = '*...*' try: import IPython except ImportE...
bp-kelley/rdkit
rdkit/Chem/UnitTestPandasTools.py
Python
bsd-3-clause
13,642
[ "RDKit" ]
431297f49fbb6c8103ab5dd395c737f09283a8ae5d3e981dd76db502b55be44f
#!/usr/bin/env python2 # vim:fileencoding=UTF-8:ts=4:sw=4:sta:et:sts=4:ai from __future__ import (unicode_literals, division, absolute_import, print_function) __license__ = 'GPL v3' __copyright__ = '2011, Kovid Goyal <kovid@kovidgoyal.net>' __docformat__ = 'restructuredtext en' import re, th...
drxaero/calibre
src/calibre/ebooks/metadata/sources/base.py
Python
gpl-3.0
22,345
[ "VisIt" ]
3f91795d0dc27d7e3ee2f2473c57d551f49b0548687e6b8290fa1793ae3828b2
def makemask(snpath, color): from config import datb, prog, path import numarray, pyfits, os id = readcat(snpath,color) rawim = pyfits.open(path + snpath + "/" + color + "/reg" + color + "seg.fits") imageseg = rawim[0].data mask = replacewithzero(...
deapplegate/wtgpipeline
mstatlib.py
Python
mit
32,305
[ "Galaxy" ]
64d79a55259bfe5cea1154051ca259fac808c7181023d401ce2009f4ebc1c111
from django.shortcuts import get_object_or_404, render, redirect from django.core.urlresolvers import reverse from django.http import HttpResponse, HttpResponseRedirect from django.core.serializers import serialize from django.db.models import Count, Max from django.contrib.auth import logout from django.contrib.aut...
mattblair/pdx-trees-django
trees/views.py
Python
mit
10,663
[ "VisIt" ]
0a56d9f5d07064442df145b8ad00f472199d90828218e8ba0cd322d2eb215196
''' This file contains input output code that runs against the large .tsv files. author: David Thaler date: July 2015 ''' import csv import os import pdb import cPickle import datetime import re import features BASE = '/Users/davidthaler/Documents/Kaggle/avito2' DATA = os.path.join(BASE, 'data') PROCESSED = os.path.j...
davidthaler/Kaggle_Avito-2015
avito2_io.py
Python
mit
14,081
[ "VisIt" ]
fe0ae26f8c8512165517a02a131058f1f9f49edc461e5481eee445097fa1a873
from __future__ import print_function import eventlet eventlet.monkey_patch() import logging import oslo_messaging import time from pyconejo import core from oslo_config import cfg LOG = logging.getLogger('pyconejo.oslo_rpc_server') def setup_options(argv=None): parser = core.common_options_server(description=...
freyes/pyconejo
pyconejo/oslo_rpc_server.py
Python
gpl-3.0
3,016
[ "exciting" ]
b7382aad8b4e2d6882692deb8a818659c186fac453db641a38fc4cf259dca6f6
# -*- coding: utf-8 -*- import datetime import random import string from lxml.html import parse from urllib import urlencode from urllib2 import urlopen from urlparse import urljoin from urlparse import urlparse from openerp import models, fields, api, _ def VALIDATE_URL(url): if urlparse(url).scheme not in ('h...
OpusVL/odoo
addons/website_links/models/website_links.py
Python
agpl-3.0
9,130
[ "VisIt" ]
2382f143dab8a2c70916e2312454f05ae04342ec2e86258ed457100371afc096
""" Copyright (c) 2011-2015 Nathan Boley This file is part of GRIT. GRIT is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. GRIT is distribut...
nboley/grit
grit/files/reads.py
Python
gpl-3.0
41,726
[ "pysam" ]
47db80ba016df5a0dc5513487ff68188767fe088e0d8fff085c644bb57bd0d88
#!/usr/bin/env python #%% import ca_source_extraction as cse import glob from ipyparallel import Client import matplotlib as mpl mpl.use('TKAgg') from matplotlib import pyplot as plt import numpy as np import os import psutil import pylab as pl from scipy.sparse import coo_matrix import shutil import subprocess import...
simonsfoundation/CaImAn
SLURM/demo_slurm.py
Python
gpl-2.0
4,379
[ "NEURON" ]
95fa33963e8aa33a8e5150b37db922b836f0c075beaec086aaf56457d6c85d15
""" enerpy gaussian error propagation with arbitrary precision, using the decimal module """ from enum import Enum from decimal import Decimal as D from decimal import getcontext FUNCTIONS1 = ["Add", "Sub", "Mul", "Div", "Pwr", "Root", "Exp", "Log"] # Importing enerpy with "from enerpy import *" will only include...
decathorpe/enerpy
enerpy/__init__.py
Python
gpl-2.0
12,599
[ "Gaussian" ]
572e8e77b1aa9bc6721b3fc193640c54fd8eeba75eef1548a3200e15b1c21d54
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007-2008 Brian G. Matherly # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your...
pmghalvorsen/gramps_branch
gramps/gen/proxy/living.py
Python
gpl-2.0
15,357
[ "Brian" ]
e51cd71014bc2e7eb0dbba240543eb07bfea93b32399d136f59c6bc7094d1b04
from plotly.basedatatypes import BaseLayoutHierarchyType as _BaseLayoutHierarchyType import copy as _copy class Shape(_BaseLayoutHierarchyType): # class properties # -------------------- _parent_path_str = "layout" _path_str = "layout.shape" _valid_props = { "editable", "fillcolor...
plotly/python-api
packages/python/plotly/plotly/graph_objs/layout/_shape.py
Python
mit
38,072
[ "VisIt" ]
105ca6a1e1753afd29463ebe7224c765450859759e0f212db7ffc9b2ffea78bc
from django.conf.urls import url from crystal_dashboard.dashboards.crystal.policies.policies import views urlpatterns = [ url(r'^create_static_policy/$', views.CreateStaticPolicyView.as_view(), name='create_static_policy'), url(r'^create_dynamic_policy/$', views.CreateDynamicPolicyView.as_view(), name='create_...
Crystal-SDS/dashboard
crystal_dashboard/dashboards/crystal/policies/policies/urls.py
Python
gpl-3.0
764
[ "CRYSTAL" ]
2218ba3b2ab53fc525cb389ba72971e3b419ae8e1f4d112b1b3e06c5293dfabf
# Copyright (C) 2012,2013,2016 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of ...
espressopp/espressopp
src/analysis/Configurations.py
Python
gpl-3.0
3,525
[ "ESPResSo" ]
23742104579df4c777a4f7ed6903f2c277115d6f186c491072021fd8758b712b
#!/usr/bin/env python ########################################################################## # # QGIS-meshing plugins. # # Copyright (C) 2012-2013 Imperial College London and others. # # Please see the AUTHORS file in the main source directory for a # full list of copyright holders. # # Dr Adam S. Can...
adamcandy/QGIS-Meshing
plugins/mesh_surface/scripts/NcTools.py
Python
lgpl-2.1
6,588
[ "NetCDF" ]
89b68f08e78baf2fb840396c4dbfe981550d80d9d0cd5e3732fc8239bba60fc4
import vigra from vigra import graphs # parameter: filepath = '12003.jpg' # input image path sigmaGradMag = 2.0 # sigma Gaussian gradient superpixelDiameter = 10 # super-pixel size slicWeight = 10.0 # SLIC color - spatial weight gamma = 0.15 # exp(-gamma * edgeIndicator) edgeThreshold = 2.5...
timoMa/vigra
vigranumpy/examples/graph_smoothing.py
Python
mit
626
[ "Gaussian" ]
ad6a0e0b6056248a1884dd2ee864d9a9f58d6ee0baa9f224d70d7db472e44fc9
# Copyright 2008-2010 by Peter Cock. All rights reserved. # # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """ Bio.AlignIO support for the "nexus" file format. You are expected to use this module v...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/AlignIO/NexusIO.py
Python
gpl-2.0
7,161
[ "Biopython" ]
95ced07a6dd4b6acdf9bc60f82ae4c5c168d64c5a93b2fa4f548165263a365c2
""" Views for the verification flow """ import datetime import decimal import json import logging import analytics import waffle from django.conf import settings from django.contrib.auth.decorators import login_required from django.contrib.staticfiles.storage import staticfiles_storage from django.core.mail import se...
miptliot/edx-platform
lms/djangoapps/verify_student/views.py
Python
agpl-3.0
48,374
[ "VisIt" ]
ea0e64cc0853a9b951871b3fa882eb7a08a07bcb1387e63eceb88b2764f0ba78
#!/usr/bin/env python3 # -*- coding: UTF-8 -*- """This module contains functions related to various energy components.""" import sys import numpy as np from collections import OrderedDict class Energy(object): """This class handles all energy related functions.""" def __init__(self, job): """Initiali...
jdcapa/MolecularToolbox
moleculartoolbox/energy.py
Python
gpl-3.0
3,931
[ "CFOUR", "ORCA" ]
5f44f17c7627da89850bf37a4aae04c5e4a60b784a25767efe2000d1a3804dc8
######################################################################## # $HeadURL $ # File: OperationHandlerBaseTests.py # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2013/03/25 08:09:08 ######################################################################## """ :mod: OperationHandlerBaseTests ==============...
andresailer/DIRAC
RequestManagementSystem/Service/test/OperationHandlerBaseTests.py
Python
gpl-3.0
2,527
[ "DIRAC" ]
bf7782d8e1541ebf4cf9534758014b4df4a42419bf3f00ca04ee15d4ace09bae
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2016 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This program is free software; you can redistribute it and/or modify # it under the terms of ...
kannon92/psi4
psi4/driver/qcdb/libmintsmolecule.py
Python
gpl-2.0
124,679
[ "Elk", "Psi4" ]
5232ff546d7fb9a2ed54563595414fc612d0d85209004a1ba2eb9cf4a181d9da
""" Forcefield.py This module takes a pdblist as input and replaces the occupancy and tempfactor fields with charge and radius fields, with values as defined by a particular forcefield. The forcefield structure is modeled off of the structures.py file, where each forcefield is considered a chain o...
MonZop/BioBlender
bin/pdb2pqr-1.6/src/forcefield.py
Python
bsd-2-clause
34,641
[ "Amber", "CHARMM" ]
3eb4f04f79c393ce1b925db9544a53f006ac1bf0abfb3361c4c4b13b1f922a7b
""" Two electron integral evaluation using Rys polynomials. References: ABD: Augspurger, Bernholdt, and Dykstra. 'Concise, Open-Ended Implementation of Rys Polynomial Evaluation of Two-Electron Integrals.' J. Comp. Chem. 11 (8), 972-977 (1990). Special thanks to Cliff Dykstra for providing a working v...
berquist/PyQuante
PyQuante/rys.py
Python
bsd-3-clause
82,427
[ "GAMESS" ]
036120787dd0ccf43ca02c8f4111435236db43dbe79b70c0eb5c85d1ec192c28
# -*- coding: utf-8 -*- import moose import re def fixPath(path): path = re.sub(r'/+', '/', path) return path paths = [ '/a' , '//a' , '/a/b' , '/a/b/' , '//a//b/////' , '/a/./b' , '///a/././b' ] expectedPath = set([fixPath(p) for p in paths]) expectedC...
upibhalla/moose-core
tests/python/test_moose_paths.py
Python
gpl-3.0
679
[ "MOOSE" ]
e772e3f0b43e87c27de3719a7f01444b9699dd4fa6ab6c4499ca6a909a36d7c4
## # This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild # # Copyright:: Copyright 2013-2019 CaSToRC, The Cyprus Institute # Authors:: George Tsouloupas <g.tsouloupas@cyi.ac.cy> # License:: MIT/GPL # $Id$ # ## """ Easybuild support for building NAMD, implemented as an easyblock @autho...
pescobar/easybuild-easyblocks
easybuild/easyblocks/n/namd.py
Python
gpl-2.0
9,061
[ "NAMD" ]
cb2a393cc0f9b1b9c2bf10587e10d79601d06afef8fc612c0992a32dfa1245d9
def listNames(): names = [ 'Aaron', 'Aaron', 'Abbey', 'Abbie', 'Abby', 'Abdul', 'Abe', 'Abel', 'Abigail', 'Abraham', 'Abram', 'Ada', 'Adah', 'Adalberto', 'Adaline', 'Adam', 'Adam', 'Adan', 'Addie', 'Adela', 'Adelaida', 'Adelaide...
dalmoz/CAPLex
heads/lists.py
Python
gpl-3.0
79,657
[ "Amber", "Brian", "COLUMBUS", "CRYSTAL", "Dalton", "Desmond" ]
a3f5a70848ae93f2b82b8c11e3c736a3bd9683226d1f3b1999e21172130f7ad3
from django.db import models from django.core.urlresolvers import reverse from edc.subject.registration.models import RegisteredSubject from edc_base.model.models import BaseUuidModel from lis.specimen.lab_aliquot.managers import AliquotManager from lis.specimen.lab_aliquot.models import BaseAliquot from .aliquot_co...
botswana-harvard/edc-bhp074
bhp074/apps/eit_lab/models/aliquot.py
Python
gpl-2.0
3,573
[ "VisIt" ]
4630121c803ac0661e6b524b793d9d675dbf1588b1a7155eaee4de17f31daa17
""" focus field (psf) calulcations for a single beam originating from objectives with ring like (gaussian) and annulus (bessel ) pupil functions via the Debye Wolf integral see e.g. Foreman, M. R., & Toeroek, P. (2011). Computational methods in vectorial imaging. Journal of Modern Optics, 58(5-6) """ from __futu...
maweigert/biobeam
biobeam/core/focus_field_beam.py
Python
bsd-3-clause
9,427
[ "Gaussian" ]
061d7cec35a84ea6be2d67bfeee9d7e469d5286bfadd55163a9832cd1b039f6c
# This file is part of the Manycore Form Compiler. # # The Manycore Form Compiler is free software: you can redistribute it and/or # modify it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or (at your # option) any later version. # # T...
gmarkall/manycore_form_compiler
mcfc/expression.py
Python
gpl-3.0
12,564
[ "VisIt" ]
dbbef23dc9e6819c9f5c27ec6f6c158985e66f91ac017ff1a97278bbfdfc4d4b
# Mantid Repository : https://github.com/mantidproject/mantid # # Copyright &copy; 2018 ISIS Rutherford Appleton Laboratory UKRI, # NScD Oak Ridge National Laboratory, European Spallation Source # & Institut Laue - Langevin # SPDX - License - Identifier: GPL - 3.0 + #pylint: disable=invalid-name from __future__...
mganeva/mantid
scripts/Interface/reduction_gui/widgets/inelastic/dgs_pd_sc_conversion.py
Python
gpl-3.0
5,097
[ "CRYSTAL" ]
112b3dd723e93b09f570393aef7cbb97d5328aa389a0c34d8af2dfc5a9d06da4
######################################################################################### # $HeadURL$ # SLURM.py # 10.11.2014 # Author: A.T. ######################################################################################### """ SLURM.py is a DIRAC independent class representing SLURM batch system. SLURM obj...
miloszz/DIRAC
Resources/Computing/BatchSystems/SLURM.py
Python
gpl-3.0
6,551
[ "DIRAC" ]
ae6a8e58839ca82d6c18ea707557b25e79f6c74ac81c427613f4b3e512a5e882
import numpy as np import tensorflow as tf import tensorflow.contrib.slim as slim from tensorflow.contrib.layers.python import layers as tf_layers from models.conv_lstm import basic_conv_lstm_cell, conv_lstm_cell_no_input # Amount to use when lower bounding tensors RELU_SHIFT = 1e-12 FC_LAYER_SIZE = 1000 FC_LSTM_LAYE...
jonasrothfuss/DeepEpisodicMemory
models/model_zoo/model_conv5_fc_lstm2_1000_deep_64.py
Python
mit
11,709
[ "Gaussian" ]
e0c1a18476bac30c4ac08aaea35b5cce3209caf8f37044ad0a058cf1eefdf06d
""" ResourceStatusClient Client to interact with the ResourceStatus service and from it with the DB. """ # pylint: disable=unused-argument from DIRAC import S_OK from DIRAC.Core.Base.Client import Client, createClient from DIRAC.ConfigurationSystem.Client.Helpers.Operations import Operations from DIRAC.FrameworkSy...
DIRACGrid/DIRAC
src/DIRAC/ResourceStatusSystem/Client/ResourceStatusClient.py
Python
gpl-3.0
18,357
[ "DIRAC" ]
2d54bdab8f07a44407980a4a2e8ec1553af9477645edb49e7c9a654e296b9084
#!/usr/bin/env python # -*- coding: utf-8 -*- from __future__ import absolute_import, division, print_function from builtins import object import numpy as np from scipy import optimize, special class _baseFunctionFit(object): """Not needed by most users except as a superclass for developing your own functio...
hoechenberger/psychopy
psychopy/data/fit.py
Python
gpl-3.0
8,441
[ "Gaussian" ]
869d4a714425ebc3167248efc140755c421ee630156b146b36522a4a1679e597
from setuptools import setup, find_packages def parse_requirements(filename): """ load requirements from a pip requirements file """ lineiter = (line.strip() for line in open(filename)) return [line for line in lineiter if line and not line.startswith("#")] version = '0.9.2' LONG_DESCRIPTION = """ ======...
capless/kev
setup.py
Python
gpl-3.0
1,402
[ "Brian" ]
eb60b35a58e35608facddbf40d91b3693474493d2848d3caf06333d708ff5330
#! /usr/bin/python3.9 import sys import os import rdkit from rdkit import Chem from rdkit.Chem import Descriptors, inchi from rdkit.Chem.rdMolDescriptors import CalcMolFormula from pubchempy import get_compounds, Compound import json import db_preprocessor from collections import Counter from chemicals import serializ...
CalebBell/chemical-metadata
scifinder-inorganic/generate_db.py
Python
mit
7,165
[ "RDKit" ]
97283dc7c6323e1db73c05a3cd539a792079658524cafb550c04e09e96f595b9
# $Id$ # # Copyright (C) 2003-2008 greg Landrum and Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """unit testing code ...
AlexanderSavelyev/rdkit
rdkit/ML/UnitTestScreenComposite.py
Python
bsd-3-clause
10,507
[ "RDKit" ]
75d50dfc877a1e0e7a29d51c6d0bffb381919ed304f1e70ef3cadf219a3a8626
#!/usr/bin/env python import sys import numpy as nmp from os import system from netCDF4 import Dataset from string import replace if len(sys.argv) != 2: print 'Usage: '+sys.argv[0]+' <nemo_bathy.nc>' sys.exit(0) cf_old = sys.argv[1] cf_new = replace(cf_old, '.nc', '_new.nc') cv_bathy = 'Bathymetry' ...
plesager/barakuda
python/exec/.old/orcaX_edit_bathy.py
Python
gpl-2.0
740
[ "NetCDF" ]
b6276f2e1572a8119388fe618e8909d55ddec79f54b94db2aa2b489dfc6e8018
import atmPy.atmos.water as water class TestWater(object): def __init__(self): self.T = range(-40, 40, 20) self.RH = range(25, 100, 25) # Dewpoint caluclations are from Brian McNoldy's dewpoint calcuator at # http://andrew.rsmas.miami.edu/bmcnoldy/Humidity.html ...
mtat76/atm-py
atmPy/atmos/tests/test_water.py
Python
mit
1,133
[ "Brian" ]
b4a81cac7ae220b78e4153b1395480996e046dca5a95706cd2d03cf2415bec5d
#!/usr/bin/env python # Copyright (C) 2011-2014 Swift Navigation Inc. # Contact: Fergus Noble <fergus@swift-nav.com> # # This source is subject to the license found in the file 'LICENSE' which must # be be distributed together with this source. All other rights reserved. # # THIS CODE AND INFORMATION IS PROVIDED "AS IS...
mfine/piksi_firmware
scripts/acq_plot.py
Python
gpl-3.0
967
[ "Mayavi" ]
385f7e08a571582b67d18ab68277c62d4e45dd50a171249172c85c07fcb83f5f
from gromacs.fileformats import TOP import numpy as np import math import copy, argparse def scale_angles(mol, angles): new_angles = {} for dh in mol.angles: atypes = dh.atom1.get_atomtype(), dh.atom2.get_atomtype(), dh.atom3.get_atomtype() atypes = [a.replace("_", "").replace("=","") for a in atypes] for is...
pslacerda/GromacsWrapper
scripts/gw-forcefield.py
Python
gpl-3.0
4,538
[ "Gromacs" ]
be2bd556a3df93d91ec0bf9b062e70dcd2ca8182a060896c4b639c8d544e0a37
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2006 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program is free software; you can redistribute it and/or modify ## it under the terms of the GNU Lesser General Public License as published by ## the Free Software F...
andrebellafronte/stoq
tests/__init__.py
Python
gpl-2.0
966
[ "VisIt" ]
edaab89d1e5a2609c5222b91bb101268a12f1b131c5d84ac298bd031d23ae6b4
import signal_processing as sig_proc import pickle from matplotlib import pyplot as plt import copy import random as rnd import math import numpy as np def plot_spikes_classified_mod(spikes_values, spike_count, threshold_template, template, extra_text=''): if spike_count > spikes_values.shape[0]: spike_cou...
scauglog/brain_record_toolbox
script_r415_spike_classifier.py
Python
mit
4,416
[ "NEURON" ]
4629645844770d97a952b0c0e9a143c4f92ddc9e6e037b5389d2791db8e1c627
# -*- coding: UTF-8 -*- # ----------------------------------------------------------------------------- # xierpa server # Copyright (c) 2014+ buro@petr.com, www.petr.com, www.xierpa.com # # X I E R P A 3 # Distribution by the MIT License. # # ---------------------------------------------------------------...
petrvanblokland/Xierpa3
xierpa3/contributions/filibuster/content/geography.py
Python
mit
16,029
[ "COLUMBUS" ]
09e1e2cb252bd1adb0933c4a46428a414ad181049ee8c4c43573bec48ecb8bae
# ========================== Start Copyright Notice ========================== # # # # Copyright 2014 F.D.I.S. # # This file is part of Kinetic Gunner: Gunner of Angst ...
CertainlyUncertain/Kinetic-Gunner-Gunner-of-Angst
gameMgr.py
Python
gpl-3.0
12,110
[ "VisIt" ]
3757656f47b5177da899020bdf4543444a215ebefbf4ecb5ff28a53940e91afe
from Module import AbstractModule class Module(AbstractModule): def __init__(self): AbstractModule.__init__(self) def run( self, network, antecedents, out_attributes, user_options, num_cores, out_path): import os from genomicode import parallel from genomicode i...
jefftc/changlab
Betsy/Betsy/modules/align_with_bowtie1.py
Python
mit
2,900
[ "Bowtie" ]
41e53f493b31408f8486023a0ee55b344e85f9082c5ac702685d3a0008c8cb8d
#!/usr/bin/env python # -*- coding: utf-8 -*- # # SpectralClustering.py # # Copyright 2014 Carlos "casep" Sepulveda <casep@alumnos.inf.utfsm.cl> # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Fo...
creyesp/RF_Estimation
Clustering/clustering/SpectralClustering.py
Python
gpl-2.0
6,225
[ "Gaussian" ]
db5347cb9baaa7458eb940042b1d50f7624454a3ff2bc13a482935b6920c2f24
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
TheTimmy/spack
var/spack/repos/builtin/packages/r-genefilter/package.py
Python
lgpl-2.1
1,800
[ "Bioconductor" ]
54d35a88e2d421008d318be4268a4b8d938fda33558c259fc390c6bf6776a153
# Copyright 2015 datawire. All rights reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agr...
datawire/quark
quarkc/ast.py
Python
apache-2.0
23,567
[ "VisIt" ]
369dab4a5cfe62a81293f9dc779f01b26937db38c7b1d0bc6f33848dac84a98d
""" Robust location and covariance estimators. Here are implemented estimators that are resistant to outliers. """ # Author: Virgile Fritsch <virgile.fritsch@inria.fr> # # License: BSD 3 clause import warnings import numbers import numpy as np from scipy import linalg from scipy.stats import chi2 from . import empir...
WangWenjun559/Weiss
summary/sumy/sklearn/covariance/robust_covariance.py
Python
apache-2.0
29,735
[ "Gaussian" ]
3b24027b071af0aa86bca7294e7042051acdd43f02da8fde8470dc888977329b
# -*- coding: utf-8 -*- # # tsodyks_depressing.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 2 of the Lice...
stinebuu/nest-simulator
pynest/examples/tsodyks_depressing.py
Python
gpl-2.0
5,611
[ "NEURON" ]
c1a474520fa616c2db5a0a0feae55e4eb17efb75609e31902ce4eee59a3593e0
from __future__ import division # Local RGZ modules import collinearity from load_contours import get_contours,make_pathdict # Default packages import datetime import operator from collections import Counter import cStringIO import urllib import json import os.path import time import shutil # Other packages impor...
willettk/rgz-analysis
python/test_consensus.py
Python
mit
15,556
[ "Galaxy" ]
e124941312285d52c8b1f00a5391a92a6d100543d69b35fdba805a4793fc0b14
#--------------------------------------------------------------------------------- # Concentric Maclaurin Spheroids gravity calculator # # Author: Naor Movshovitz (nmovshov at gee mail dot com) #--------------------------------------------------------------------------------- from __future__ import division import sys...
nmovshov/CMS-planet
cms.py
Python
gpl-3.0
18,335
[ "Brian", "Gaussian" ]
6a2b63a2245e849e47773294964928cbcfaab068c4682ccf4cbf6ff6c90cfde6
from datetime import timedelta import pytest from sqlalchemy import select from sqlalchemy.ext.asyncio import AsyncEngine, AsyncSession from virtool.blast.data import BLASTData from virtool.blast.models import NuVsBlast from virtool.tasks.models import Task @pytest.fixture async def blast_data(dbi, pg, static_time,...
igboyes/virtool
tests/blast/test_data.py
Python
mit
2,791
[ "BLAST" ]
2ddf652be0d4cae617b367ff70da1f317696b57e45d52994f21bee07c48a0660
import numpy as np import tensorflow as tf import math import func #import matplotlib.pyplot as plt #import matplotlib.patches as patches from skimage.measure import block_reduce import input_data def transform_data(image, img_size, d, noise_var): mnist_size = 28 image = np.reshape(image, [28, 28]) # do...
amrit110/deepLearThesis
tensorflow/mnist_transform.py
Python
mit
4,319
[ "Gaussian" ]
abd69a85b426a97dd61386f08afbc0713b1a4c2240f1a8532ee68e8e0ec18a7e
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under th...
alejob/mdanalysis
package/MDAnalysis/analysis/pca.py
Python
gpl-2.0
14,859
[ "MDAnalysis" ]
b1d1a26a904c37f00e913ff46ce96455666b8b8db0fad2c1360f964ecd682602
# -*- coding: utf-8 -*- from collections import defaultdict, OrderedDict from itertools import permutations import math import pytest try: import numpy as np except ImportError: np = None from chempy import Equilibrium, Reaction, ReactionSystem, Substance from chempy.thermodynamics.expressions import MassA...
bjodah/chempy
chempy/kinetics/tests/test_ode.py
Python
bsd-2-clause
41,283
[ "ChemPy" ]
a22a7536a1e7d503fc3be3fb876b87f0c1002a7d278286b5f4f06c331717237c
# coding: utf-8 """ jinja2schema.visitors.util ~~~~~~~~~~~~~~~~~~~~~~~~~~ """ import jinja2.nodes from ..mergers import merge from ..model import Dictionary, Scalar, Unknown def visit(node, macroses, config, predicted_struct_cls=Scalar, return_struct_cls=Unknown): if isinstance(node, jinja2.nodes.Stmt): ...
aromanovich/jinja2schema
jinja2schema/visitors/util.py
Python
bsd-3-clause
1,720
[ "VisIt" ]
c9aa3e2806ac92a84dc86fcc9a9b8c2ec914222a1b9f01c2821ab6372b8eadd7
#!/usr/bin/env python # Run most of AmberTools serial tests ''' Require: AMBERHOME You need to call amber.setup_test_folders first (only do once) amber.setup_test_folders Then run test (anywhere) amber.run_tests Adjust the test by updating env TEST_TASK (please lookt at the code) ''' from time import tim...
Amber-MD/ambertools-conda-build
outdated/devtools/ci/ci_test.py
Python
mit
6,062
[ "Amber" ]
4493b686ef2b8b4b2330e26d3680d0518c054e0bc41e09b0615255dd18b73007
# Copyright (C) 2009 by Eric Talevich (eric.talevich@gmail.com) # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """PhyloXML reader/parser, writer, and associated functions. Instantiates tree elements...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/Phylo/PhyloXMLIO.py
Python
gpl-2.0
33,376
[ "Biopython" ]
34bf30d8c4b697b9deb208e6a57811d1b4cdc4e2022a7e9120ea217838260af1
from __future__ import print_function from pybrain.structure import FeedForwardNetwork from pybrain.structure import LinearLayer, SigmoidLayer from pybrain.structure import BiasUnit,TanhLayer from pybrain.structure import FullConnection from pybrain.datasets import SupervisedDa...
affordablewindurbines/jarvisproject
pybrain/examples/supervised/test_network_read_write/jpq2layersWriter.py
Python
gpl-3.0
3,987
[ "NEURON" ]
9e8dddcbc8406a707de0116552d1fecd09b4f60f459b8cd7fdca1c01a5fa2824
# # Copyright (c) 2017 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use...
yashdsaraf/scancode-toolkit
src/plugincode/output.py
Python
apache-2.0
3,189
[ "VisIt" ]
3d19bed62aff86c5f331779084c193402140c5172cce4781d058892db20dbb38
model = """# Generated by PySCeS 0.7.2 (2010-08-10 13:12) # Keywords Description: Dimerisation model (003), variant 04 Modelname: Dimerisation04 Output_In_Conc: True Species_In_Conc: False # GlobalUnitDefinitions UnitVolume: litre, 1.0, 0, 1 UnitLength: metre, 1.0, 0, 1 UnitSubstance: item, 1.0, 0, 1 UnitArea: met...
SystemsBioinformatics/stochpy
stochpy/pscmodels/dsmts_003_04.py
Python
gpl-3.0
3,700
[ "PySCeS" ]
e3664b4c9bfc9c2aa8a239f6317326f37cc67f83317dd0ef2cd278169cdd9291
from math import log from argparse import ArgumentParser # Multiple Polynomial Quadratic Sieve def mpqs(n, verbose=False): if verbose: time1 = clock() root_n = isqrt(n) root_2n = isqrt(n+n) # formula chosen by experimentation # seems to be close to optimal for n < 10^50 bound = int(5 * log(n, 10)**2)...
rezaqes/MadeLineProtoForHost
vendor/danog/primemodule/lib/danog/prime.py
Python
agpl-3.0
12,105
[ "Gaussian" ]
ac1fc7496d3c43779d3e7d5a3a461930d6c9d442b2604119bbafafe26814464e
# Copyright (c) 2014, the GREAT3 executive committee (http://www.great3challenge.info/?q=contacts) # All rights reserved. # # Redistribution and use in source and binary forms, with or without modification, are permitted # provided that the following conditions are met: # # 1. Redistributions of source code must retain...
barnabytprowe/great3-public
tests/galaxy_props.py
Python
bsd-3-clause
7,161
[ "Galaxy" ]
16a5172e37cd5884fe02eba7dc7c9a8ecb0c4902abd6b4b34fd85055fcca1c76
#-*. coding: utf-8 -*- ## Copyright (c) 2011, Noel O'Boyle; 2012, Adrià Cereto-Massagué ## All rights reserved. ## ## This file is part of Cinfony. ## The contents are covered by the terms of the GPL v3 license ## which is included in the file LICENSE_GPLv3.txt. """ indy - A Cinfony module for accessing Indigo fro...
cinfony/cinfony
cinfony/indy.py
Python
bsd-2-clause
22,495
[ "RDKit" ]
1b32a20e6e5cdc5aec6e5c29292d39c5b9fc9e145e1c53c34755fb1ee90aaaf6
from __future__ import print_function from rdkit.SimDivFilters import rdSimDivPickers as rdsimdiv import numpy from rdkit import RDRandom RDRandom.seed(23) pkr = rdsimdiv.MaxMinPicker() n = 1000 m = 80 dataPts = [] for i in range(n) : pt = numpy.zeros(2, 'd') pt[0] = 10.*RDRandom.random() pt[1] = 10.*RDR...
adalke/rdkit
Code/SimDivPickers/Wrap/testMaxMin.py
Python
bsd-3-clause
827
[ "RDKit" ]
18c3ee4b4300c42c8211a11111a9a4542292135d6672a425c782551ae8740b54
# # This is the configuration file for the RPi environd # ### Presentation - General # All datetime stamps use typical strftime codes: https://docs.python.org/2/library/datetime.html#strftime-strptime-behavior # The date/time stamp of the last (most current) reading. present_lastread_stamp = "%I:%M %p on %A, %b %d" ...
modalexii/RPi-Environd
config.py
Python
mpl-2.0
2,371
[ "TINKER" ]
74f37c9984f6f97fd7ab9d74a04755bbe17f581bcb75fbbfe30c40bd1a70add9
#!/usr/bin/env python import numpy as np import matplotlib.pyplot as plt from astropy import table, units as u import cjam # read in the positions from the example and add appropriate units pos = table.QTable.read("xy.dat", format="ascii", names=["x","y"]) pos["x"].unit = u.arcsec pos["y"].unit = u.arcsec # read in ...
lauralwatkins/cjam
example/example.py
Python
bsd-2-clause
4,606
[ "Gaussian" ]
64c66ec228b2a3060c061bedb94d36f73a95834fb5aa0fa1b971469983299054
""" ========================================== Statistical functions (:mod:`scipy.stats`) ========================================== .. module:: scipy.stats This module contains a large number of probability distributions as well as a growing library of statistical functions. Each univariate distribution is an insta...
vhaasteren/scipy
scipy/stats/__init__.py
Python
bsd-3-clause
8,414
[ "Gaussian" ]
fb5e44b517b9cd6fa98b552c8d70741feec473291d5f69b69e4bd05db04ecf08
from __future__ import print_function, division import os import platform import socket import copy import numpy as np from datetime import datetime import time # globals FILLVALUE = -99999.9 ITMUNI = {0: "undefined", 1: "seconds", 2: "minutes", 3: "hours", 4: "days", 5: "years"} LENUNI = {0: "u...
bdestombe/flopy-1
flopy/export/netcdf.py
Python
bsd-3-clause
38,500
[ "NetCDF" ]
c3c00de9600bb6d141673722a90b875ca7f6f0edee8b8e369836b206acd9b38e
""" Test_RSS_Policy_Configurations """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = '$Id: $' import unittest import DIRAC.ResourceStatusSystem.Policy.Configurations as moduleTested #########################################################...
yujikato/DIRAC
src/DIRAC/ResourceStatusSystem/Policy/test/Test_RSS_Policy_Configurations.py
Python
gpl-3.0
1,612
[ "DIRAC" ]
2316c57ce96d608b6be112318940d493b83d521d17ccc73b7cd1cdde40acc210
import pytest from merakicommons.container import SearchError, searchable, SearchableList, SearchableSet, SearchableDictionary, LazyList, SearchableLazyList VALUE_COUNT = 100 # Seriously where is this in the std lib... GENERATOR_CLASS = (None for _ in range(0)).__class__ @searchable({str: "strings"}) class Inner(o...
sserrot/champion_relationships
venv/Lib/site-packages/tests/test_container.py
Python
mit
18,183
[ "MOE" ]
9a13025e041edebed49eb50e6eaf8196bdc7f58f915e7912a86615759427cf2a
# coding=utf-8 # Copyright 2022 The Google Research Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicab...
google-research/google-research
poem/core/models.py
Python
apache-2.0
25,344
[ "Gaussian" ]
d7d383deed491c5ff5f5f65463b978630c98a3217afce122523437ca048452f4