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## # Copyright (C) 2012 Jasper Snoek, Hugo Larochelle and Ryan P. Adams # # This code is written for research and educational purposes only to # supplement the paper entitled # "Practical Bayesian Optimization of Machine Learning Algorithms" # by Snoek, Larochelle and Adams # Advances in Neural Information Processing S...
recursix/spearmint-salad
spearmint_salad/old/_spearmint/chooser/GPEIChooser.py
Python
bsd-3-clause
14,002
[ "Gaussian" ]
8325cc50283576a264556457527d48941c7fde30d50b864787a07b19f5891b0c
#!/usr/bin/env python #========================================================================== # # Copyright Insight Software Consortium # # 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 Licen...
eile/ITK
Utilities/Maintenance/BuildHeaderTest.py
Python
apache-2.0
5,157
[ "VTK" ]
1c0e73d67acac29b6436e8745234a5bb310cbb125ec22a60d7ffae5d0fbd8668
# -*- coding: utf-8 -*- """ Created on Wed Oct 25 18:09:30 2017 INPUT: tvec: N x 6 matrix where each row is a time vector data: N x 4 matrix where each row is a set of measurements OUTPUT: Screen output: a table of descriptive statistics min 25% 50% 75% max ...
danmark2312/Project-Electricity
functions/statistics.py
Python
gpl-3.0
1,375
[ "MOE" ]
e094f8b98a5781e45c353ddda0f6f4c155c628fc73272a464d2b01e4c3bdb0b3
## v1.0a ## sannes import urllib2, httplib, socket, sys, threading from re import search from time import sleep from random import randint from optparse import OptionParser url = urllib2 parser = OptionParser() Hello = """ _____ / ___/____ _____ ____ ___ _____ \_...
knightmare2600/d4rkc0de
others/Webclicker.py
Python
gpl-2.0
8,634
[ "VisIt" ]
47b55321d218af26aee967a9019d15a9f556dd738dba6be78f2d285f2a404386
# Jython Database Specification API 2.0 # # $Id: dbextstest.py 2101 2002-05-10 16:11:41Z bzimmer $ # # Copyright (c) 2001 brian zimmer <bzimmer@ziclix.com> import dbexts, runner, tempfile, os from random import random class dbextsTestCase(runner.SQLTestCase): def setUp(self): template = """ [def...
DarioGT/OMS-PluginXML
org.modelsphere.sms/lib/jython-2.2.1/Lib/test/zxjdbc/dbextstest.py
Python
gpl-3.0
8,655
[ "Brian" ]
416cedc2159ea631f8899d110cace0c436d968762dd0fa64446bf6a1261dcda3
""" An (master) roi experiment for the catreward project. """ from roi.base import Roi, Mean class Catreward(Roi): """ A Roi analysis class, customized for the catreward project. """ def __init__(self, TR, roi_name, trials, durations, data): Roi.__init__(self, TR, roi_name, trials, durations, data) ...
parenthetical-e/fmri
catreward/roi/exps/base.py
Python
bsd-2-clause
36,690
[ "Gaussian" ]
75279206d285d39134d22e243011acdcc4cc854454d8c71b85526702a95a5b47
"""Header value parser implementing various email-related RFC parsing rules. The parsing methods defined in this module implement various email related parsing rules. Principal among them is RFC 5322, which is the followon to RFC 2822 and primarily a clarification of the former. It also implements RFC 2047 encoded w...
timm/timmnix
pypy3-v5.5.0-linux64/lib-python/3/email/_header_value_parser.py
Python
mit
103,889
[ "CRYSTAL" ]
873260d6ca45f4f0f3ab1a21aa85f22ce272822ce8c7447047d38830108622df
#!/usr/bin/env python # Author: Andrew Jewett (jewett.aij at g mail) # License: MIT License (See LICENSE.md) # Copyright (c) 2013 # All rights reserved. """ lttree_postprocess.py This is a stand-alone python script which checks the files created by lttree.py to insure that the standard instance-variables...
smsaladi/moltemplate
moltemplate/lttree_postprocess.py
Python
bsd-3-clause
16,125
[ "LAMMPS" ]
a884c3cca2e320f35f53875bd503bead11281b458c8fcefd93515de19a284b6c
#!/usr/bin/env python #=============================================================================== # Copyright 2017 Geoscience Australia # # 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...
alex-ip/geophys_utils
geophys_utils/_netcdf_point_utils.py
Python
apache-2.0
50,413
[ "NetCDF" ]
cf0d65d2901ff6b16acef3a94534dd9acb6f79057a12090b412752cde6b327a4
# -*- coding: utf-8 -*- # # Google Genomics documentation build configuration file, created by # sphinx-quickstart on Wed Apr 30 15:58:16 2014. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present in this # autogenerated fil...
harshinamdar/start-here
docs/source/conf.py
Python
apache-2.0
14,412
[ "Bioconductor" ]
0b30ca7df4537bf6e3a7069705a53b81267d5ea019efd4312801c767675f6c54
#!/usr/bin/env python # -*- coding: utf-8 -*- from __future__ import print_function import numpy as np import SimpleITK as sitk import os import math import sys import subprocess import tempfile import shutil import requests import matplotlib.pyplot as plt from matplotlib.ticker import ScalarFormatter from itertools im...
openconnectome/ndreg
ndreg-old/ndreg-old.py
Python
apache-2.0
63,081
[ "VTK" ]
9d57a005d8d71be89e57b86974edd6c8641964c3cf01799e4caa77d73ca780aa
#!/usr/bin/env python """Performs a molecular optimization using CP2K and prints local PDOS projected on subsets of atoms based on the atom type and coordination number.""" import argparse import itertools import logging import os from typing import Dict, List import pkg_resources from nanoCAT.recipes import coordinat...
SCM-NV/qmworks-namd
scripts/qmflows/coordination_ldos.py
Python
mit
5,877
[ "CP2K" ]
e365a933817fee00f43d97727f1928d743a85bbcd9ffa6f574643dbb91fb18fa
#!/usr/bin/env python # -*- coding: utf8 -*- # ***************************************************************** # ** PTS -- Python Toolkit for working with SKIRT ** # ** © Astronomical Observatory, Ghent University ** # ***************************************************************** # ...
SKIRT/PTS
modeling/config/make_ssfr_maps.py
Python
agpl-3.0
1,172
[ "Gaussian" ]
c8f2a7e368fb0e50eab72d670a56514464296b238320b5c5ec470887fdf06ce6
############################################################################### # # # # Copyright 2011-2013 Tavendo GmbH # # Copyright 2013 Dominique Hunziker <dominique.hunziker@gmail.com> # # Copyright 2013 Dhananjay Sathe <dhananjaysathe@gmail.com> # # # # Licensed under the Apache License, Version 2.0 (th...
rapyuta/autobahn_rce
autobahn/autobahn/websocket.py
Python
apache-2.0
157,695
[ "VisIt" ]
f211ce0b5eba24a0461c9ee3b5037071ea0899d81577295315ec1f0256a867a6
from __future__ import division from common import recover_xor_key, score_text from itertools import cycle, izip, islice, tee # Taken from https://docs.python.org/2/library/itertools.html#recipes def _pairwise(iterable): """s -> (s0,s1), (s1,s2), (s2, s3), ...""" a, b = tee(iterable) next(b, None) retu...
ericnorris/cryptopals-solutions
cryptopals/set1/challenge_06.py
Python
mit
2,500
[ "ADF" ]
8d394a3b5d99c5ccc74ce9d935371855ef7fe1fb05996e6f0d135063024572b8
import numpy import vtk from .raw import points as to_vtk_points from .raw import vertices as to_vtk_vertices from numpy2vtk.exceptions import Numpy2VtkFormatException def vertices(points, z_index=0): """ Returns the VTK-representation of a number of vertices that are defined by the points array. Args: ...
selaux/numpy2vtk
numpy2vtk/data/vertices.py
Python
lgpl-3.0
1,385
[ "VTK" ]
46bc9c9a2da4807499c34f5c9a57e5033b5bce4f438f043cac1b4f6e988138fe
""" https://leetcode.com/explore/challenge/card/february-leetcoding-challenge-2021/585/week-2-february-8th-february-14th/3639/ """ from typing import List class Solution: def is_bipartite(self, graph: List[List[int]]) -> bool: # depth first search on graph # color each node 0 or 1 depending on th...
kalyons11/kevin
kevin/leet/is_graph_bipartite.py
Python
mit
1,883
[ "VisIt" ]
a8d86649b3422d365f1a6c518de0e78e502c4d1dfe646586cc5b5e6e2b9bd33e
#!/usr/bin/env python3 # # (C) 2017, Markus Wildi, wildi.markus@bluewin.ch # # 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, or (at your option) # any later version. # ...
jstrobl/rts2
scripts/dome_target_az.py
Python
lgpl-3.0
15,268
[ "VisIt" ]
94526ea99f4420e42a9950de05d505a0656a87c79660d40aee14baf0aff40e50
""" This is a test of the chain SiteStatus -> ResourceStatusClient -> ResourceStatusDB It supposes that the DB is present, and that the service is running """ from __future__ import absolute_import from __future__ import division from __future__ import print_function # pylint: disable=invalid-name,wrong-impor...
ic-hep/DIRAC
tests/Integration/ResourceStatusSystem/Test_SiteStatus.py
Python
gpl-3.0
5,988
[ "DIRAC" ]
31db1c397a827469122b9a75e885e376f21c40638f993d8f1882535361ed3d6f
import matplotlib.pyplot as plt import numpy as np import dpp import math t = 0.005 x = [] y = [] for i in range(0, int(1/t)): a = 2*math.pi*float(i)*t x.append(math.cos(a)) y.append(math.sin(a)) x = np.array(x) y = np.array(y) k = 50 idx = np.arange(x.size) np.random.shuffle(idx) x_uniform = x[idx[:k]] y_unif...
bdol/bdol-ml
dpp/unit_ring.py
Python
lgpl-3.0
1,112
[ "Gaussian" ]
854cbe559e2c3a18ed362f60d18955d5b2e2161704725d2473f6d852f97ff41f
import numpy from chainer.backends import cuda from chainer.functions.connection import deconvolution_2d from chainer import initializers from chainer import link from chainer.utils import argument from chainer import variable class Deconvolution2D(link.Link): """__init__(self, in_channels, out_channels, ksize=...
ktnyt/chainer
chainer/links/connection/deconvolution_2d.py
Python
mit
7,583
[ "Gaussian" ]
1c4e46d754fc84e506415797863f0c39128aee6711af65209843f6b91805a827
"""A simple wrapper round BWA because I got tired of writing out the invocations bwa mem -t 8 -p ../data/red_alga.fa.gz Out/reads_c.fq > Out/temp.sam samtools view -Sb Out/temp.sam > Out/temp.bam samtools sort Out/temp.bam Out/reads samtools index Out/reads.bam Usage: pybwa <ref> <fastq> <bam> [-S] [-P] ...
latticelabs/Mitty
mitty/util/pybwa.py
Python
gpl-2.0
1,808
[ "BWA" ]
7fa2da5bf47ff8c86730f5976ccc2d86163ce0c8f5567993998334a7f838b422
import sys from galaxy import util from galaxy.web.base.controller import * from galaxy.model.orm import * # Older py compatibility try: set() except: from sets import Set as set import logging log = logging.getLogger( __name__ ) class LibraryAdmin( BaseController ): @web.expose @web.require_admin ...
volpino/Yeps-EURAC
lib/galaxy/web/controllers/library_admin.py
Python
mit
64,232
[ "Galaxy" ]
ef45c6be41771931fb7bfc739b41a77e009b7de971fd0a9eeb90a3185a4c4da8
# $Id$ # Copyright (C) 2005 Greg Landrum and Rational Discovery LLC # # 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 of the License, or (at your option) any later ve...
rdkit/rdkit
rdkit/sping/ReportLab/pidReportLab.py
Python
bsd-3-clause
10,479
[ "RDKit" ]
5c1b8ea9ff8e9a56d4f8cdf7963a0e33bc85021e47fded5b0da4c414dbe2dcff
#!/usr/bin/env python2 # -*- coding: utf-8 -*- # # DNSChef is a highly configurable DNS Proxy for Penetration Testers # and Malware Analysts. Please visit http://thesprawl.org/projects/dnschef/ # for the latest version and documentation. Please forward all issues and # concerns to iphelix [at] thesprawl.org. DNSCHEF_V...
ru-faraon/dnschef
dnschef.py
Python
bsd-3-clause
30,691
[ "VisIt" ]
63da1b33e723b28e30a706bb383b861c19bac9bb48d263adb66f6233657a433b
# Authors: Alexandre Gramfort <alexandre.gramfort@telecom-paristech.fr> # Matti Hamalainen <msh@nmr.mgh.harvard.edu> # # License: BSD (3-clause) import numpy as np import os import os.path as op from scipy import sparse, linalg from copy import deepcopy from .io.constants import FIFF from .io.tree import dir...
trachelr/mne-python
mne/source_space.py
Python
bsd-3-clause
92,749
[ "Mayavi" ]
32f3d693d8d26378f6bb53b5abfc6ce1eb4af332a3674671d4043a8bdeaa94c3
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import os import unittest import warnings import pandas as pd from pymatgen.core.structure import Structure from pymatgen.analysis.magnetism.heisenberg import HeisenbergMapper from pymatgen.util.testing import PymatgenTest ...
vorwerkc/pymatgen
pymatgen/analysis/magnetism/tests/test_heisenberg.py
Python
mit
2,719
[ "pymatgen" ]
e946e451119535eb77ec8e6bf7a415c70e771a24c2e8cb653386027e1c0527b0
from __future__ import print_function, absolute_import import os import re import subprocess from operator import itemgetter class InvalidResiduesError(Exception): pass def get_pdb_seq(pdb, chain): ''' Read a PDB[pdb] input and outputs a sequence of a desired chain[chain]. ''' import modeller ...
salilab/cryptosite
lib/cryptosite/cleaning.py
Python
lgpl-2.1
5,864
[ "BLAST" ]
bff9830f7f2933e64036d16f318701ad01a5b16bd29c5eaa4ea932c652e79b8a
from article_metrics.utils import lmap from .logic import generic_ga_filter def query_processor_frame_1(ptype, frame): adhoc = lmap(lambda path: "ga:pagePath==%s" % path, [ "/from-ancient-dna-to-decay-an-interview-with-jessica-metcalf", "/food-for-thought-an-interview-with-ana-domingos", "...
elifesciences/elife-metrics
src/metrics/interview_type.py
Python
gpl-3.0
1,959
[ "Brian" ]
e21bae6e185212adbcfed7b16ca79d9fcebe5099360a3fcc338a2e09ea4de5b1
# copyright 2003-2015 LOGILAB S.A. (Paris, FRANCE), all rights reserved. # contact http://www.logilab.fr/ -- mailto:contact@logilab.fr # # This file is part of pylint. # # pylint 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 Fre...
justathoughtor2/atomicApe
cygwin/lib/python2.7/site-packages/pylint/reporters/ureports/nodes.py
Python
gpl-3.0
5,239
[ "VisIt" ]
e76aeed8e9924850e5e1f2302c03fcd6baee715d5eacaf50ca05e6b0aab985d3
import re from typing import Any, Dict from antlr4.Token import CommonToken from cleo.styles import OutputStyle from sdoc import sdoc2 from sdoc.antlr.sdoc2Parser import sdoc2Parser from sdoc.antlr.sdoc2ParserVisitor import sdoc2ParserVisitor from sdoc.sdoc.SDocVisitor import SDocVisitor from sdoc.sdoc2.Position impo...
SDoc/py-sdoc
sdoc/sdoc2/SDoc2Visitor.py
Python
mit
7,187
[ "VisIt" ]
e034ab1cef1d01288fb1e7b458c68da0d53b6388358922389243a49368a88899
#!/usr/bin/env python """ Script that emulates the behaviour of a shell to edit the CS config. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function import sys from DIRAC.Core.Base import Script from DIRAC.Core.Utilities.DIRACScript import DIRACScript # Inva...
yujikato/DIRAC
src/DIRAC/ConfigurationSystem/scripts/dirac_configuration_shell.py
Python
gpl-3.0
604
[ "DIRAC" ]
7d0082d9ca679edbfaaefcc20aac6f195ae761463a5eb526009f0d7bda59d6c9
#!/usr/bin/env python # -*- coding: utf-8 -*- ''' Copyright (C) 2015 Dato, Inc. All rights reserved. This software may be modified and distributed under the terms of the BSD license. See the DATO-PYTHON-LICENSE file for details. ''' import sys import parser import symbol import token import ast import inspect import ...
chen0031/Dato-Core
src/unity/python/graphlab_util/lambda_closure_capture.py
Python
agpl-3.0
9,429
[ "VisIt" ]
27959cf3b0cfc641d902cea40412bfe8cee503313828b2482408ed0983b08ef1
# -*- coding: utf-8 -*- """ Default Django settings. Override these with settings in the module pointed to by the DJANGO_SETTINGS_MODULE environment variable. """ from __future__ import unicode_literals # This is defined here as a do-nothing function because we can't import # django.utils.translation -- that module d...
aisipos/django
django/conf/global_settings.py
Python
bsd-3-clause
21,790
[ "VisIt" ]
21be8b3dc6ca30895320e18ab1d0dd779e4abc7b6095a9b3413cafb131cd7a0b
#!/usr/bin/env python # Luke Matarazzo # Pen Testing - Email Scraper import urllib2 from urlparse import urlparse import re import argparse from BeautifulSoup import BeautifulSoup, SoupStrainer from sys import exit #create the email regex object once for efficiency emailRegex = re.compile("[\w.%+-]+@[\w.-]+\.[a-zA-Z]...
bigshebang/pentesting
scraper.py
Python
bsd-3-clause
5,321
[ "VisIt" ]
637779f2620970e5762989481df8136de0b91f8dcdd72fe77c20cdea5e370d7f
# -*- coding: utf-8 -*- import colorsys from datetime import datetime, timedelta import logging from random import random import re import sys from typing import Any, Dict, Tuple import urllib import urllib.parse from django import forms from django.conf import settings from django.contrib.auth.models import User, Gr...
tomka/CATMAID
django/applications/catmaid/models.py
Python
gpl-3.0
74,716
[ "NEURON" ]
2cc45385dba38ef83cfffd50d3dc7ae76faec2273a449dba1958c82e8e7a088e
""" Find runs that match crAssphage with a minimum number of runs, a minimum alignment length, and a minimum percent identity """ import os import sys import argparse import pysam if __name__ == '__main__': parser = argparse.ArgumentParser(description="Count hits in a bam file") parser.add_argument('-d', hel...
linsalrob/EdwardsLab
bam/count_bam_hits.py
Python
mit
1,880
[ "pysam" ]
716b04d198fea28762b2818d4f2114ba20bf1528ee04e47e8f62bca73dbfc655
""" Browser set up for acceptance tests. """ #pylint: disable=E1101 #pylint: disable=W0613 from lettuce import before, after, world from splinter.browser import Browser from logging import getLogger from django.core.management import call_command from django.conf import settings from selenium.common.exceptions import...
PepperPD/edx-pepper-platform
common/djangoapps/terrain/browser.py
Python
agpl-3.0
6,336
[ "VisIt" ]
a99196acae29830d28a550f0aeee9e6ba1bca00f74e6b292b65de44373c709f0
"""Result collection for daylight studies with several hours. Use this PointInTime result grid to load the results from database for daylight factor, vertical sky component, and point-in-time illuminance or radiation studies. """ from __future__ import division from ...schedule import Schedule from ..recipe.id import ...
ladybug-tools/honeybee
honeybee_plus/radiance/resultcollection/timeseries.py
Python
gpl-3.0
27,348
[ "ASE" ]
20ce1db9bc414263877d80f8ed54cc91c378ee072213507a402af7db12213bd2
## # Copyright 2009-2020 Ghent University # # This file is part of EasyBuild, # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en), # with support of Ghent University (http://ugent.be/hpc), # the Flemish Supercomputer Centre (VSC) (https://www.vscentrum.be), # Flemish Research Foundation (F...
pescobar/easybuild-easyblocks
easybuild/easyblocks/n/ncl.py
Python
gpl-2.0
8,924
[ "NetCDF" ]
4c570655874291e84bdad0d4b3208d1fa075493f51a6b4bddd5988a8a63b6575
# # @file printRenderInformation.py # @brief prints an overview of the render information in the given SBML file # @author Frank Bergmann # # This file is part of libSBML. Please visit http:#sbml.org for more # information about SBML, and the latest version of libSBML. # import sys import os.path fr...
TheCoSMoCompany/biopredyn
Prototype/src/libsbml-5.10.0/examples/python/render/printRenderInformation.py
Python
bsd-3-clause
4,405
[ "VisIt" ]
76dd9a48c9b60717dce46d0e883ad335e200183c3687f3ec9a87b67033c96453
import os from mpl_toolkits.basemap import Basemap, shiftgrid import matplotlib.colors as colors from scipy.signal import medfilt2d import netCDF4 import pyroms import pyroms_toolbox from ROMS_bathy_smoother import * #Grid dimension Lm = 200 Mm = 150 # define the 4 corners of the grid # first point is the top left ...
kshedstrom/pyroms
examples/stuff/make_scgrid.py
Python
bsd-3-clause
3,455
[ "NetCDF" ]
ddf912a914c1b2c4c1ac69e2a8b0947256c5de94b209ae1fdfc07f220b6b339e
#%% Demo 4: Simple Image reconstruction # # # This demo will show how a simple image reconstruction can be performed, # by using OS-SART and FDK # # -------------------------------------------------------------------------- # -------------------------------------------------------------------------- # This file is part...
CERN/TIGRE
Python/demos/d04_SimpleReconstruction.py
Python
bsd-3-clause
1,715
[ "Gaussian" ]
d202f5da422b4a98d3d9d8a7b1074588a2e7de75de8cc3ae0a63dec026386d39
"""Sensor that can display the current Home Assistant versions.""" from datetime import timedelta import logging from pyhaversion import ( HaVersion, HaVersionChannel, HaVersionSource, exceptions as pyhaversionexceptions, ) import voluptuous as vol from homeassistant.components.sensor import ( PLA...
jawilson/home-assistant
homeassistant/components/version/sensor.py
Python
apache-2.0
4,382
[ "TINKER" ]
066ae27f02692fd46eb6d94eff09f7f585524485bc50d392e1e1aefa496011ba
# -*- coding: utf-8 -*- # © 2018 Andrei Levin - Didotech srl (www.didotech.com) from openerp.osv import fields, orm class ResCompany(orm.Model): _inherit = 'res.company' _columns = { 'google_key': fields.char('Google API key', size=64, help="""To create your key: - Visit the APIs console ...
iw3hxn/LibrERP
hr_attendance_position/models/company.py
Python
agpl-3.0
787
[ "VisIt" ]
73f6a6186531236492b2cff175006291dcd639bd063cca5834e42d12d4e30ecc
#!/usr/bin/env python # -*- coding: utf-8 -*- """ Zappa CLI Deploy arbitrary Python programs as serverless Zappa applications. """ from __future__ import unicode_literals from __future__ import division from past.builtins import basestring from builtins import input, bytes import argcomplete import argparse import...
juanantoniofm12/toonai
Zappa/zappa/cli.py
Python
mit
100,264
[ "VisIt" ]
3be0916fd26f72e9b046be3211fad45e656884e9788cc4fb935653a742bf1441
import netCDF4 as nc import numpy as np float_type = 'f8' # Get number of vertical levels and size from .ini file with open('gabls1.ini') as f: for line in f: if(line.split('=')[0]=='ktot'): kmax = int(line.split('=')[1]) if(line.split('=')[0]=='zsize'): zsize = float(line....
microhh/microhh2
cases/gabls1/gabls1_input.py
Python
gpl-3.0
1,811
[ "NetCDF" ]
3b5c726d594e39740abed18935240d3c22cb48af1d1a020c9a8791733b2c9561
#!/usr/bin/env python #============================================================================================= # MODULE DOCSTRING #============================================================================================= """ Utility functions to help setting up Yank configurations. """ #==================...
jchodera/yank
Yank/pipeline.py
Python
lgpl-3.0
13,242
[ "Amber", "Gromacs", "MDTraj", "OpenMM" ]
01fa2d871e90df6d697b5b9566ab6423e378b8957dbd664b10d668998e1522aa
from django.db import models from django.contrib.auth.models import User class Visit (models.Model): id = models.AutoField(primary_key=True) ip = models.CharField( max_length = 15 ) #may be this should be the key host = models.CharField( max_length = 255 ) referer = models.CharField( max_length = 255 )...
keelhaule/alfanous
src/alfanous-django/wui/models.py
Python
agpl-3.0
648
[ "VisIt" ]
8fa118d02a1dd6f335839ea0ccbd80f8d34596cece56f23685b79e9039fb7005
import vtk import numpy as np class ThickenSurf(): def __init__(in_vtk_poly_data): self.poly_data = in_vtk_poly_data pass def FindEdges(self): pass def MakeVertices(self): pass def MakeMesh(self): pass pass
alinar/Molar
molar/VisTools.py
Python
gpl-2.0
268
[ "VTK" ]
2a0bdc7dff389cb4fc1320a8b7598c857f4911deb3a4902d57e99b543bf682ee
#!/usr/bin/python3 from .notaclass import Nota import argparse import sys import json import os import re import textwrap import datetime import tempfile from random import randint, seed from time import strptime import subprocess indent = " " showRandomHint = False def nota(): hints = [ 'see recent...
dankelley/nota
nota/main.py
Python
gpl-3.0
34,409
[ "VisIt" ]
3fc17c22b0beabd36dafc86752489fa24e1f0f0b122206f9c98958873403c4a8
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) class PyTorchGeometric(PythonPackage): """PyTorch Geometric (PyG) is a geometric deep learning extension library ...
iulian787/spack
var/spack/repos/builtin/packages/py-torch-geometric/package.py
Python
lgpl-2.1
3,179
[ "ASE" ]
ac3f136b6b9b33749378b54fb1b3d0ff47262507554b69d1dfc58d28cdb7dc1b
""" This module defines export functions for decision trees. """ # Authors: Gilles Louppe <g.louppe@gmail.com> # Peter Prettenhofer <peter.prettenhofer@gmail.com> # Brian Holt <bdholt1@gmail.com> # Noel Dawe <noel@dawe.me> # Satrajit Gosh <satrajit.ghosh@gmail.com> # Trevor...
davidgbe/scikit-learn
sklearn/tree/export.py
Python
bsd-3-clause
15,814
[ "Brian" ]
55e5ea2e86245ac82b36e08ba2283f1eec12dd20b0f1ef484a81f496582f75b1
## \example reference_frames.py # Show how to properly extract coordinates in the presence of rigid bodies. from __future__ import print_function import RMF # print out transformed coordinates def print_coordinates(reference_frame, coords): print(reference_frame.get_global_coordinates(coords)) # walk through th...
shanot/imp
modules/rmf/dependency/RMF/examples/reference_frames.py
Python
gpl-3.0
1,928
[ "VisIt" ]
295796e81e59412bfe16a72d889cd73b5d48355e3631d3e62b198612c40e2ea2
import pysam def num_svas(): """ Calculate the number of surrogate variables """ raise NotImplementedError
jeffhsu3/genda
genda/stats/gksvm.py
Python
bsd-3-clause
122
[ "pysam" ]
77ff425660ef66d0807962744c82adbcd9f45c239fb5e3bf07f9bb707065bbc1
"""Testing for Gaussian process classification """ # Author: Jan Hendrik Metzen <jhm@informatik.uni-bremen.de> # License: BSD 3 clause import numpy as np from scipy.optimize import approx_fprime from sklearn.gaussian_process import GaussianProcessClassifier from sklearn.gaussian_process.kernels import RBF, Constant...
imaculate/scikit-learn
sklearn/gaussian_process/tests/test_gpc.py
Python
bsd-3-clause
6,079
[ "Gaussian" ]
016dab7517685d470d7f21e6739dfaec5404cd1e369ee01fd45b3f6157ac0541
#!/usr/bin/env python ''' Scan HF/DFT PES. ''' import numpy from pyscf import gto from pyscf import scf, dft # # A scanner can take the initial guess from previous calculation # automatically. # mol = gto.Mole() mf_scanner = scf.RHF(mol).as_scanner() ehf1 = [] for b in numpy.arange(0.7, 4.01, 0.1): mol = gto.M(v...
gkc1000/pyscf
examples/scf/30-scan_pes.py
Python
apache-2.0
1,329
[ "PySCF" ]
c6184da067b768c319c9ae31c4f00f4b01260f7c1e4bd660f84308ea446c4a00
# encoding: utf-8 import datetime from south.db import db from south.v2 import SchemaMigration from django.db import models class Migration(SchemaMigration): def forwards(self, orm): # Adding field 'Group.order' db.add_column(u'profiles_group', 'order', self.gf('django.db.models.fields.Po...
ProvidencePlan/Profiles
communityprofiles/profiles/oldmigrations/0073_auto__add_field_group_order.py
Python
mit
23,238
[ "MOE" ]
efe4fe5d7d9e51e90c16b678d10009f689eb05c37bd70552aa942d74c64b1608
''' this model example is taken from https://github.com/brian-team/brian2genn_benchmarks/blob/master/Mbody_example.py ''' ############################################################################### ## PARAMETERS # select code generation standalone device devicename = 'cuda_standalone' # devicename = 'cpp_standalo...
brian-team/brian2cuda
examples/mushroombody.py
Python
gpl-2.0
8,076
[ "Brian" ]
c02f502c4122a3c38458f2110e50e9805c292f6ab5e45bd97f6efec7ce5bf88b
# Copyright 2000 by Jeffrey Chang. All rights reserved. # Copyright 2001 by Gavin E. Crooks. All rights reserved. # Modifications Copyright 2004/2005 James Casbon. # Copyright 2005 by Regents of the University of California. All rights reserved # (Major rewrite for conformance to corebio. Gavin Crooks) # # This c...
JohnReid/bioinf-utilities
python/corebio/resource/astral.py
Python
mit
12,606
[ "Biopython" ]
97126565f0f60fecf5718c3fb4739569bf1f3f4dd9f61663f96dad816436e98a
from itertools import chain import unittest from robot.utils.asserts import assert_equal, assert_raises_with_msg, assert_true from robot.errors import DataError from robot.result import Keyword, TestCase, TestSuite from robot.result.configurer import SuiteConfigurer SETUP = Keyword.SETUP_TYPE TEARDOWN = Keyword.TEAR...
alexandrul-ci/robotframework
utest/result/test_configurer.py
Python
apache-2.0
11,532
[ "VisIt" ]
320a99ed1e61c2b44bafff277ec20f7f55cbf8d236bcd235704e360770d685a5
# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class RDirichletmultinomial(RPackage): """Dirichlet-Multinomial Mixture Model Machine Learning f...
LLNL/spack
var/spack/repos/builtin/packages/r-dirichletmultinomial/package.py
Python
lgpl-2.1
1,463
[ "Bioconductor" ]
69410934b6902592a9190a6b9891fa02f5777f2f3dc17a910b9f5d6535c5b8ed
# -*- coding: utf-8 -*- # This file is part of Shuup. # # Copyright (c) 2012-2021, Shuup Commerce Inc. All rights reserved. # # This source code is licensed under the OSL-3.0 license found in the # LICENSE file in the root directory of this source tree. from __future__ import print_function import ast import click imp...
shoopio/shoop
_misc/ensure_code_style.py
Python
agpl-3.0
5,277
[ "VisIt" ]
c5c15ef10b559afe5da80a393afe3f3f62bb4a80f6f6f1804060aa9e7260a8f3
#!/usr/bin/env python # -*- coding: utf8 -*- # ***************************************************************** # ** PTS -- Python Toolkit for working with SKIRT ** # ** © Astronomical Observatory, Ghent University ** # ***************************************************************** ##...
Stargrazer82301/CAAPR
CAAPR/CAAPR_AstroMagic/PTS/pts/do/eagle/insert.py
Python
mit
3,475
[ "Galaxy" ]
1d78717eb911e552cfac1ed7ff4c0f46afa03c4a77e0b2d9018385032b4b12f0
# Copyright 2015 Google Inc. 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 agreed ...
google/prettytensor
prettytensor/parameters.py
Python
apache-2.0
3,939
[ "Gaussian" ]
87f242d9253770648b28b02c90ed7ae3588a547351441269b37bf65f1ff79dea
# Released under The MIT License (MIT) # http://opensource.org/licenses/MIT # Copyright (c) 2013-2015 SCoT Development Team import unittest from importlib import import_module import numpy as np from numpy.testing import assert_allclose import scot from scot import varica, datatools from scot.var import VAR class ...
cbrnr/scot
scot/tests/test_varica.py
Python
mit
6,978
[ "Gaussian" ]
e0f5bd40ce4940e6bc6cd4ab9dc46ae25ab37f63d74ea93465a24c4810bb6818
""" Python implementation of the fast ICA algorithms. Reference: Tables 8.3 and 8.4 page 196 in the book: Independent Component Analysis, by Hyvarinen et al. """ # Authors: Pierre Lafaye de Micheaux, Stefan van der Walt, Gael Varoquaux, # Bertrand Thirion, Alexandre Gramfort, Denis A. Engemann # License: BS...
RomainBrault/scikit-learn
sklearn/decomposition/fastica_.py
Python
bsd-3-clause
18,717
[ "Gaussian" ]
67fefb379c911788e27f877aa76a72389f600197783aecc8efa72226bfc371a2
import re from collections import defaultdict from itertools import product import networkx as nx from bs4 import BeautifulSoup from markdown import markdown from parsimonious.grammar import Grammar from parsimonious.nodes import NodeVisitor class Node: def __init__(self, name=None, attributes=None): self...
horoshenkih/mind-graph
organon/parser.py
Python
gpl-3.0
8,781
[ "VisIt" ]
00e56bde148fb8843d422f30ee5e060c0639d273c43fa802b6f8e67228b9bf8b
from __future__ import absolute_import ####################################################################### # # # Next Event Renderer for Dreambox/Enigma-2 # Coded by Vali (c)2010 # Support: www.dreambox-tools.info # # # This plugin is licensed under the Creative Commons # Attribution-NonCommercial-Share...
atvcaptain/enigma2
lib/python/Components/Renderer/NextEvent.py
Python
gpl-2.0
1,984
[ "VisIt" ]
0e0bfd7de7e9e12f78d30c96b946f43dfd8417b24979d7d7fc2f7c9b09315ece
"""A quick DOM implementation. Python's xml.dom is very slow. The xml.sax module is also slow (as it imports urllib2). This is our light-weight version. """ # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. from xml.parsers import expat import zeroinstall from zer...
turtledb/0install
zeroinstall/injector/qdom.py
Python
lgpl-2.1
3,485
[ "VisIt" ]
456c8f3c5d173b1f9a5e40ba754bad8ca8db97e421a51d109e45fb8750f3c8ec
import vtk # Read the file (to test that it was written correctly) reader = vtk.vtkXMLImageDataReader() reader.SetFileName("D:/Notebooks_Bogota2017/SS_2017/data/challenge_0.vti") reader.Update() # Convert the image to a polydata imageDataGeometryFilter = vtk.vtkImageDataGeometryFilter() imageDataGeometryFilter.SetInp...
dianafprieto/SS_2017
scripts/06_NB_Challenges.py
Python
mit
1,210
[ "VTK" ]
15ee3dbda42a9ca0368f8ece8701a3913189f7f9bc0fb931afa18bae1692423b
from ase.tasks.main import run atoms, task = run("elk bulk Al -x fcc -a 4.04 --k-point-density=3.0 -p tasks=0,xc=PBE,rgkmax=5.0,tforce=True") atoms, task = run('elk bulk Al -s')
alexei-matveev/ase-local
ase/test/elk/elk_cmdline.py
Python
gpl-2.0
179
[ "ASE", "Elk" ]
2b278077c000948af0487957f5fde5adfb0119ded0d8b93fc3377d01b9a27786
""" This object is a small tool to allow user to quickly determine the variance in q from the instrumental parameters. """ from instrument import Sample from instrument import Detector from instrument import TOF as Neutron from instrument import Aperture # import math stuffs from math import pi from math import sqrt i...
lewisodriscoll/sasview
src/sas/sascalc/calculator/resolution_calculator.py
Python
bsd-3-clause
39,326
[ "Gaussian" ]
a68a47cb57be43c54d4f730b6016bbd253fe7e02cfba32f63ac84e5896d120bc
# Utility methods to do peak integration from __future__ import (absolute_import, division, print_function) from six.moves import range import numpy import math from scipy.optimize import curve_fit import mantid.simpleapi as mantidsimple from mantid.api import AnalysisDataService def apply_lorentz_correction(peak_int...
ScreamingUdder/mantid
scripts/HFIR_4Circle_Reduction/peak_integration_utility.py
Python
gpl-3.0
29,473
[ "Gaussian" ]
f119db43266c13beea2df616bbec5c4b413b4a2a9e2026f4fcaadd95ca158067
""" The U.S. Standard Atmosphere 1976 is an idealized, steady-state model of mean annual conditions of Earth's atmosphere from the surface to 1000 km at latitude 45N, as it is assumed to exist during a period with moderate solar activity. The defining meteorological elements are sea-level temperature and pressure, and ...
poliastro/poliastro
src/poliastro/earth/atmosphere/coesa76.py
Python
mit
13,539
[ "Avogadro" ]
283a6c74dab70af118f7cddaf0681931521cb5124fe64a7923342b71ff34f63b
#!/usr/bin/env python # -*- coding: utf-8 -*- ''' E-I network connected with NEST topology ---------------------------------------- Simulation of a network consisting of an excitatory and an inhibitory neuron population with distance-dependent connectivity. The code bases on the script brunel_alpha_nest.py which...
espenhgn/VIOLA
test_data/topo_brunel_alpha_nest.py
Python
gpl-2.0
44,541
[ "Gaussian", "NEURON" ]
4cbe91371d3a98623a34775465c1c0c56612a7843c3c1bb996de16e9f4a14535
# Copyright 2014 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. """This file contains printing-related functionality of the bisect.""" import datetime import re from bisect_results import BisectResults import bisect_uti...
CTSRD-SOAAP/chromium-42.0.2311.135
tools/auto_bisect/bisect_printer.py
Python
bsd-3-clause
15,203
[ "VisIt" ]
254bfa02070110f80238339d72b1f8189fc8e9b1a60a65829de70662a7096624
""" Methods for cooking with OpenMM """ __version__ = "v0.1" __author__ = "Carlos Xavier Hernández <cxh@stanford.edu>" from mdcookbook.core import * from mdcookbook.utils import *
cxhernandez/md-cookbook
mdcookbook/__init__.py
Python
mit
183
[ "OpenMM" ]
2aeb0faf2365cb985664884cb66dcd0d60d585d746882ab352a81fd8939e9e84
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
harterj/moose
python/moosesqa/SQARequirementReport.py
Python
lgpl-2.1
3,945
[ "MOOSE" ]
0f436c8ca2a2ba6aaf0256c8b8d026f38d1f558518c90324bfe423d13ac085bd
from __future__ import with_statement import hashlib import os import stat import tempfile from fnmatch import filter as fnfilter from fabric.state import output, connections, env from fabric.utils import warn from fabric.context_managers import settings class SFTP(object): """ SFTP helper class, which is a...
akaariai/fabric
fabric/sftp.py
Python
bsd-2-clause
11,000
[ "VisIt" ]
5ad5e5c829a7e73caea25afb01b920d983035744247de63fab023242cc5b205b
#!/usr/bin/python """ # Created on Aug 12, 2016 # # @author: Gaurav Rastogi (grastogi@avinetworks.com) GitHub ID: grastogi23 # # module_check: supported # # Copyright: (c) 2016 Gaurav Rastogi, <grastogi@avinetworks.com> # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) # """ ...
haad/ansible
lib/ansible/modules/network/avi/avi_gslbservice_patch_member.py
Python
gpl-3.0
10,405
[ "VisIt" ]
5adedec1245a41fc7fe732bf0db5e54f404b183e484ef856a5c15f65e88774ee
# Copyright 2012 by Wibowo Arindrarto. 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.SearchIO object to model search results from a single query.""" import sys # Add p...
Ambuj-UF/ConCat-1.0
src/Utils/Bio/SearchIO/_model/query.py
Python
gpl-2.0
31,206
[ "BLAST", "Biopython" ]
bfad314c708807eebd57e28c489e114dbaa849878321dbb105a7bd49fb99eb8e
""" Instructor Dashboard Views """ import logging import datetime from opaque_keys import InvalidKeyError from opaque_keys.edx.keys import CourseKey import uuid import pytz from django.contrib.auth.decorators import login_required from django.views.decorators.http import require_POST from django.utils.translation imp...
tanmaykm/edx-platform
lms/djangoapps/instructor/views/instructor_dashboard.py
Python
agpl-3.0
31,501
[ "VisIt" ]
b8b81552c8f3afd3256e61974bb1158d97a87c6a7f0fb84f9f126b3829fd661b
""" Physical units and dimensions. The base class is Unit, where all here defined units (~200) inherit from. The find_unit function can help you find units for a given quantity: >>> import sympy.physics.units as u >>> u.find_unit('coul') ['coulomb', 'coulombs'] >>> u.find_unit(u.charge) ['C', 'ch...
wolfram74/numerical_methods_iserles_notes
venv/lib/python2.7/site-packages/sympy/physics/units.py
Python
mit
8,234
[ "Avogadro" ]
5ea740f5b0c3bc0e47abdc2718b2c52655d964e1907142bc4a9b2ba3c2e0f13e
import logging from autotest.client.shared import error @error.context_aware def run(test, params, env): """ KVM virtio viostor heavy random write load: 1) Log into a guest 2) Install Crystal Disk Mark [1] 3) Start Crystal Disk Mark with heavy write load :param test: QEMU test object :pa...
ypu/tp-qemu
qemu/tests/win_disk_write.py
Python
gpl-2.0
1,545
[ "CRYSTAL" ]
abce4e4cae828467ca769b4cbd8243764b55c8781cd2f8ce1bad99e0946b805f
""" Instructor Dashboard Views """ import logging import datetime from opaque_keys import InvalidKeyError from opaque_keys.edx.keys import CourseKey import uuid import pytz from django.contrib.auth.decorators import login_required from django.views.decorators.http import require_POST from django.utils.translation imp...
rhndg/openedx
lms/djangoapps/instructor/views/instructor_dashboard.py
Python
agpl-3.0
25,900
[ "VisIt" ]
881ca820f5bc57eae1f3f5e45dd8e23a7ddcedc393dd8d841baad889e58d89ea
# -*- coding: UTF-8 -*- # # Copyright (c) 2015-2019 by Inteos Sp. z o.o. # All rights reserved. See LICENSE file for details. # from __future__ import unicode_literals from django.shortcuts import render, redirect, get_object_or_404 from django.http import JsonResponse, Http404 from django.urls import reverse from l...
inteos/IBAdmin
restore/views.py
Python
agpl-3.0
43,533
[ "VMD" ]
74501253e77ddc3513aae9428c457cd075a9d53a575a7b65b010e68b182cc88a
""" Profiling class for updated information on process status """ __RCSID__ = "$Id$" import datetime import errno import psutil from DIRAC import gLogger, S_OK, S_ERROR from DIRAC.Core.Utilities.DErrno import EEZOMBIE, EENOPID, EEEXCEPTION def checkInvocation(func): """ Decorator for invoking psutil methods ""...
chaen/DIRAC
Core/Utilities/Profiler.py
Python
gpl-3.0
5,557
[ "DIRAC" ]
5741b3f30fda980303f483f2c020ddb0aa67c73b66aa00b76151238aed759ce9
# coding=utf-8 """ Protein-Ligand Interaction Profiler - Analyze and visualize protein-ligand interactions in PDB files. test_literature_validated.py - Unit Tests for literature-validated cases. """ import unittest from plip.structure.preparation import PDBComplex class LiteratureValidatedTest(unittest.TestCase): ...
ssalentin/plip
plip/test/test_literature_validated.py
Python
gpl-2.0
37,793
[ "CRYSTAL" ]
1e8cdb6185fbb833c8c9b1d132e0add240a2ede955f3e80b6ccb86f64553b416
""" Useful recipes from various internet sources (thanks) mostly decorator patterns """ import os.path as op import re import logging import functools from collections import defaultdict class memoized(object): """ Decorator that caches a function's return value each time it is called. If called later w...
sgordon007/jcvi_062915
utils/cbook.py
Python
bsd-2-clause
12,250
[ "BLAST" ]
d096193d4d62329c1d46a543889ae24f2b81afcebd1264eb82d49a2ac7d15044
#!/usr/bin/python # -*- coding: utf-8 -*- # (c) 2013, Jeroen Hoekx <jeroen.hoekx@dsquare.be>, Alexander Bulimov <lazywolf0@gmail.com> # # This file is part of Ansible # # Ansible 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 So...
ravello/ansible-modules-extras
system/lvol.py
Python
gpl-3.0
8,197
[ "Firefly" ]
ac6fb06736e06b716b386e61a7a0d01d4e0d641b5c76ffdf39b33885e5470dd8
import numpy as np from ase import Atoms from ase.units import Bohr, Ry def read_scf(filename): try: f = open(filename + '.scf', 'r') pip = f.readlines() ene = [] for line in pip: if line[0:4] == ':ENE': ene.append(float(line[43:59]) * Ry) f.clo...
askhl/ase
ase/io/wien2k.py
Python
gpl-2.0
5,987
[ "ASE" ]
bff66e0d9db8c5523383ab4ed791c61abad12e97fef48bfc3295a5351b5220e0
from lsst.obs.decam.ingest import DecamParseTask root.parse.retarget(DecamParseTask) root.parse.hdu = 1 # PHU root.parse.translation = {'proposal': 'PROPID', 'visit': 'EXPNUM', 'taiObs': 'DATE-OBS', # Header says UTC, but shouldn't matter if we're consistent ...
LSST-nonproject/obs_omegacam
config/ingest.py
Python
gpl-3.0
1,718
[ "VisIt" ]
6cad49c756d8cfc729fd268addc4aa3436872808b93f43a24708c15f6a468805
from ScriptingLanguage.Interpreter import Interpreter __author__ = 'chronium' def visit_assignment(assignment): Interpreter().add_variable(assignment.value[0], assignment.value[1].visit()) return '[{}] = {}'.format(assignment.value[0], Interpreter().get_variable(assignment.value[0]))
chronium/ChronoScript
ScriptingLanguage/Visitors/AssignmentVisitor.py
Python
gpl-2.0
295
[ "VisIt" ]
6a220740017ae1c24c7cae06655905243ac61f8b22cec2f92b48dd24d54216bf
#!/usr/bin/env python # # Copyright (c) 2016 Matt Davis, <mdavis@ansible.com> # Chris Houseknecht, <house@redhat.com> # # This file is part of Ansible # # Ansible 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 ...
adityacs/ansible
contrib/inventory/azure_rm.py
Python
gpl-3.0
32,631
[ "Galaxy" ]
2de3f5a7e80399d75cd9c389f94c8ac4c0b1c92bba1f16ef45c8af2e9ccacd06
# # Copyright (C) 2010-2019 The ESPResSo project # Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010 # Max-Planck-Institute for Polymer Research, Theory Group # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public...
psci2195/espresso-ffans
doc/tutorials/02-charged_system/scripts/nacl_units_vis.py
Python
gpl-3.0
5,397
[ "ESPResSo" ]
ee70b480662bcb16924e432b6717bc33be82ba13d864d7a7dfa5e788b40d277c
# # Copyright (c) 2015 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...
yasharmaster/scancode-toolkit
tests/licensedcode/test_index.py
Python
apache-2.0
27,649
[ "VisIt" ]
51543e1415a5e08b2d9d93a901c63b17a80e1aca72fcfd0878d59eeb7c6e5ebd
import warnings import mdtraj as md import numpy as np from msmbuilder.example_datasets import AlanineDipeptide from msmbuilder.featurizer import Featurizer from msmbuilder.featurizer import RMSDFeaturizer class OldRMSDFeaturizer(Featurizer): """Featurizer based on RMSD to a series of reference frames. Par...
mpharrigan/mixtape
msmbuilder/tests/test_rmsdfeaturizer.py
Python
lgpl-2.1
8,866
[ "MDTraj" ]
5fe28f13f56530f19fca4cfbe216ff41d9003f5d9dd1b59e304abdae43427f16
# TODO: simplify module!! all this muck was necessary due to the old # demand-driven model. Keep the code around, it could be used as # illustrative case. import gen_utils from module_base import ModuleBase from module_mixins import NoConfigModuleMixin import module_utils import vtk import vtkdevide class modifyHom...
nagyistoce/devide
modules/filters/modifyHomotopy.py
Python
bsd-3-clause
11,359
[ "VTK" ]
33a7238d7e8c97e6e9112f767806f02caa601f26a264a888e09200a1bae3cad6
# functions to do a spectral analysis of a greyscale image. # # Some parts of this code adapted with thanks from a notebook on # image statistics by Bart Machilsen and Maarten Demeyer (see # http://nbviewer.jupyter.org/github/gestaltrevision/python_for_visres/blob/master/Part7/Part7_Image_Statistics.ipynb) from __futu...
tomwallis/PsyUtils
psyutils/image/_spectral_analysis.py
Python
mit
8,328
[ "Bowtie", "Gaussian" ]
afae8a126b65bf62e507f4310faca8669221152174db1d1444710f850c0cea31