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# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import unicode_literals import os import unittest from monty.serialization import loadfn, dumpfn from pymatgen.io.qchem_io.outputs import QCOutput from pymatgen.util.testing import PymatgenTes...
nisse3000/pymatgen
pymatgen/io/qchem_io/tests/test_outputs.py
Python
mit
6,602
[ "pymatgen" ]
5f103165f591ac63268f2e436160004840fe837af8f1a0bd4be83f0a3e368d08
# step 1. imports from sqlalchemy import (create_engine, MetaData, Table, Column, Integer, String, ForeignKey, Float, DateTime, event) from sqlalchemy.orm import sessionmaker, mapper, relationship from sqlalchemy.ext.horizontal_shard import ShardedSession from sqlalchemy.sql import operators, visitors import date...
alex/sqlalchemy
examples/sharding/attribute_shard.py
Python
mit
9,466
[ "VisIt" ]
03dec7b0f8b11abcafc65e6eade25f4db8897e9ff8ae7557301c71275abdd9a8
import sys import functools from types import MethodType import gevent import nose import shorten from shorten.lock import Lock from shorten import UUIDTokenGenerator, KeyInsertError, TokenInsertError, RevokeError def spawn_nicely(*args): g = gevent.spawn(*args) g.link_exception(die_nicely) return g def...
clibc/shorten
tests/common.py
Python
mit
8,059
[ "Elk" ]
5ccb481cd013278e640f03a37943d9758be1cc93c13fe318959f86d376f857ec
# Copyright (c) 2003-2013 LOGILAB S.A. (Paris, FRANCE). # http://www.logilab.fr/ -- mailto:contact@logilab.fr # # 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, o...
wvangeit/python-mode
pymode/libs/pylama/lint/pylama_pylint/pylint/checkers/classes.py
Python
lgpl-3.0
30,490
[ "VisIt" ]
dfcadc30c10f9f37425a7b5e6bdfc05040ee76df07ec0de427e7329780338922
from __future__ import print_function, division import random from sympy.core.basic import Basic from sympy.core.compatibility import is_sequence, as_int, range from sympy.core.function import count_ops from sympy.core.decorators import call_highest_priority from sympy.core.singleton import S from sympy.core.symbol i...
toolforger/sympy
sympy/matrices/dense.py
Python
bsd-3-clause
43,120
[ "DIRAC" ]
5fd3ecedeefd475caac4dd094e2698cad8eb8618b6534570c43c447e9d317112
""" This module gathers tree-based methods, including decision, regression and randomized trees. Single and multi-output problems are both handled. """ # Authors: Gilles Louppe <g.louppe@gmail.com> # Peter Prettenhofer <peter.prettenhofer@gmail.com> # Brian Holt <bdholt1@gmail.com> # Noel Da...
Tong-Chen/scikit-learn
sklearn/tree/tree.py
Python
bsd-3-clause
29,287
[ "Brian" ]
6de42123c1e674c49a9651f9d36a54892b85c6d5bc4a6698bb5ad10e98ce3c37
# $Id$ # # Copyright (c) 2013, Novartis Institutes for BioMedical Research Inc. # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are # met: # # * Redistributions of source code must retain the above c...
adalke/rdkit
rdkit/Chem/Draw/UnitTestSimilarityMaps.py
Python
bsd-3-clause
6,949
[ "RDKit" ]
45c42c26afb7d58aff68e564093ea8d7e7ed12081f73f87b305e7b1a0997e4da
#!/usr/bin/python # -*- coding: utf-8 -*- from __future__ import (absolute_import, division, print_function) __metaclass__ = type # # Copyright (C) 2017 Lenovo, Inc. # # 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 Licens...
tsdmgz/ansible
lib/ansible/modules/network/cnos/cnos_interface.py
Python
gpl-3.0
27,201
[ "VisIt" ]
6257856a531b9e7ae2bddf2aa8e8c3fec2baccf53a12a19de6f8204f4604b769
# # This source file is part of appleseed. # Visit https://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2019 Jonathan Dent, The appleseedhq Organization # # Permission is hereby granted, free of charge, to any person obtaining a copy #...
dictoon/blenderseed
operators/texture_ops.py
Python
mit
5,174
[ "VisIt" ]
aaec28e4f71ca00ecd3b7a91b588d2c0fd417eba3a925ac904ed1fb163dc320f
from DIRAC import S_OK from DIRAC.Core.Utilities import DEncode from DIRAC.Core.Base.ExecutorModule import ExecutorModule class PingPongExecutor(ExecutorModule): @classmethod def initialize(cls): """ Executors need to know to which mind they have to connect. """ cls.ex_setMind(...
DIRACGrid/DIRAC
docs/source/DeveloperGuide/AddingNewComponents/DevelopingExecutors/PingPongExecutor.py
Python
gpl-3.0
1,060
[ "DIRAC" ]
8d97e71af099bf846605d471e6f4985663799738a2d2d704336c41166bdd9660
input_name = '../examples/linear_elasticity/elastic_contact_planes.py' output_name = 'test_elastic_contact_planes.vtk' from tests_basic import TestInput class Test(TestInput): pass
RexFuzzle/sfepy
tests/test_input_elastic_contact_planes.py
Python
bsd-3-clause
186
[ "VTK" ]
2476c589fa8b65b437d7ca95e40930040f42c3d56be1633ade521299d46ac431
import fresh_tomatoes import media # Create movie instances by calling init in Movie class in media.py # Each movie's variables are passed when calling init guardians_galaxy = media.Movie("Guardians of the Galaxy", "Awesome space raccoon shooting stuff", "...
omgapuppy/udacity
python_intro/entertainment_center.py
Python
mit
2,208
[ "Galaxy" ]
43308bbe84e816bb521864b5efa95b9d96a03a1896b50d64234920efdd11cf0a
# encoding:utf-8 """ :synopsis: views diplaying and processing main content post forms This module contains views that allow adding, editing, and deleting main textual content. """ import datetime import logging import os import os.path import random import sys import tempfile import time from django.shortcuts import ...
fitoria/askbot-devel
askbot/views/writers.py
Python
gpl-3.0
35,694
[ "VisIt" ]
65cc25207a9bd4b3e140b25778f42d0323ed2f35d85b531041d66bd481313ad8
# Copyright (c) 2010 OpenStack Foundation # # 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 to ...
wenhuizhang/swift
test/unit/common/middleware/test_staticweb.py
Python
apache-2.0
33,522
[ "VisIt" ]
63c5fa78461290196e7b838e1c7eb5cb62b93dd25b60fe2d50c434f15da74f38
""" Simulation data for dark matter power spectra at 3 redshifts, z = 0, 0.509, 0.987 For more, see the detailed description of these simulations in Okumura et al. 2012. """ from .. import data_dir, numpy as np, os as _os import pandas as pd __all__ = ['load', 'P00_mu0_z_0_000', 'P00_mu0_z_0_509...
nickhand/pyRSD
pyRSD/data/__init__.py
Python
gpl-3.0
12,455
[ "Galaxy", "Gaussian" ]
263b56f7e252bb182b4fa3a13b70d2df64e90174f60dfe1c59eae283654fe2bc
from textwrap import dedent import py, pytest from _pytest.config import PytestPluginManager @pytest.fixture(scope="module", params=["global", "inpackage"]) def basedir(request, tmpdir_factory): from _pytest.tmpdir import tmpdir tmpdir = tmpdir(request, tmpdir_factory) tmpdir.ensure("adir/conftest.py").wr...
Akasurde/pytest
testing/test_conftest.py
Python
mit
13,655
[ "VisIt" ]
a54136ac193ef39f5ec146b4280a17d5656d1125811804297114770e23003cc5
''' Created on Aug 3, 2009 @author: rb ''' import os; import os.path; import tempfile; def main(blastPath, qryPath, outPath, batchSize): blastCmd = "{0}/bin/blastall -p blastx -d {0}/db/nr -i {1} -o {2} -e 1e-5 -m 8 -a 6" fOut = open(outPath, 'w'); with open(qryPath, 'r') as fQry: hdr = None; cnt = 0; while...
orionzhou/robin
old/BlastJobSplit.py
Python
gpl-2.0
1,276
[ "BLAST" ]
907ae436103ced9fbec06d4c13c313a570efa0f0a88e228169fedebef5542628
############################################################################## # Copyright (c) 2013-2018, 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...
EmreAtes/spack
var/spack/repos/builtin/packages/r-tmixclust/package.py
Python
lgpl-2.1
2,323
[ "Bioconductor", "Gaussian" ]
fcfd5a2072e77f2c255679dd4b22473740cf35aa3c2b04e7a62a0214ed7d9a78
""" this module contains a class that fits a gaussian model to the central part of an histogram, following schwartzman et al, 2009. This is typically necessary to estimate a fdr when one is not certain that the data behaves as a standard normal under H_0. Author : Bertrand Thirion, 2008-2009 """ import numpy as np fro...
yarikoptic/NiPy-OLD
nipy/neurospin/utils/emp_null.py
Python
bsd-3-clause
17,408
[ "Gaussian" ]
bac0010d707bedbf5f0617c05aaa40222a92dfdfb7446a1adf2d2366471f4fc9
import gettext from gettext import gettext as _ import os def C_(ctx, s): """Provide qualified translatable strings via context. (copied from Orca)""" translated = gettext.gettext('%s\x04%s' % (ctx, s)) if '\x04' in translated: # no translation found, return input string return s re...
ruibarreira/linuxtrail
usr/lib/python2.7/dist-packages/caribou/i18n.py
Python
gpl-3.0
471
[ "ORCA" ]
960ef1b26284d82a9fe5015ce57f466ebfeec68ede1e3f59d1ec1799b99b79d5
""" Handles URL downloads. This is the low-level interface for downloading interfaces, implementations, icons, etc. @see: L{fetch} higher-level API for downloads that uses this module """ # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. import tempfile, os from ...
dabrahams/zeroinstall
zeroinstall/injector/download.py
Python
lgpl-2.1
5,510
[ "VisIt" ]
b22915fa40ec8bafcd06862005e011dedd2fa04a2478ec70a8211d000eca0376
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides classes used to define a non-periodic molecule and a periodic structure. """ import math import os import json import collections import itertools from abc import ABCMeta, abstractmeth...
mbkumar/pymatgen
pymatgen/core/structure.py
Python
mit
163,442
[ "ABINIT", "CRYSTAL", "Gaussian", "NetCDF", "VASP", "exciting", "pymatgen" ]
e3a448ad6860bde90f137e537b7da2dcf8447ad21f0326c6f4c35a0ee6ca4c38
#!/usr/bin/env python import vtk def main(): colors = vtk.vtkNamedColors() # Create the RenderWindow, Renderer and Interactor. # renderer = vtk.vtkRenderer() renWin = vtk.vtkRenderWindow() renWin.AddRenderer(renderer) iren = vtk.vtkRenderWindowInteractor() iren.SetRenderWindow(renWi...
lorensen/VTKExamples
src/Python/Modelling/Bottle.py
Python
apache-2.0
2,775
[ "VTK" ]
5500f730100cca186e2beee95e2be9c3cb95730e0867335a58ad5f53206d1e83
""" Contains an abstract base class that supports chemically aware data splits. """ from __future__ import print_function from __future__ import division from __future__ import unicode_literals __author__ = "Bharath Ramsundar, Aneesh Pappu " __copyright__ = "Copyright 2016, Stanford University" __license__ = "MIT" im...
joegomes/deepchem
deepchem/splits/splitters.py
Python
mit
23,865
[ "RDKit" ]
764ada16c90a1033adcf4239ac22c6e92228264555e06b9d732ace44f4be6885
# Copyright 2016 The TensorFlow Authors. 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 applica...
AndreasMadsen/tensorflow
tensorflow/contrib/factorization/python/ops/gmm.py
Python
apache-2.0
7,497
[ "Gaussian" ]
9647fdeaa7ac796f0fd07e774fbafcac2494ca7d4ab461e2f6195a96158bfe01
# -*- coding: utf-8 -*- """ ePSproc IO functions. ===================== Module for file IO and data parsing. Main function: :py:func:`epsproc.IO.readMatEle`: readMatEle(fileIn = None, fileBase = None, fType = '.out'): Read ePS file(s) and return results as Xarray data structures containing matrix elements. ...
phockett/ePSproc
epsproc/IO.py
Python
gpl-3.0
72,264
[ "NetCDF", "ParaView", "VTK" ]
7214373eb23e3409f054ccf841a6fcf3d0e1ba565ce5bea580d1886b0eb933e8
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkImageWeightedSum(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, v...
nagyistoce/devide
modules/vtk_basic/vtkImageWeightedSum.py
Python
bsd-3-clause
495
[ "VTK" ]
134292e77cf34b4211e08fd8d17ccabd1b2f44c077b5da8f537185eb9980b55d
''' CacheFeederAgent This agent feeds the Cache tables with the outputs of the cache commands. ''' from DIRAC import S_OK from DIRAC.AccountingSystem.Client.ReportsClient import ReportsClient from DIRAC.Core.Base.AgentModule ...
Andrew-McNab-UK/DIRAC
ResourceStatusSystem/Agent/CacheFeederAgent.py
Python
gpl-3.0
5,886
[ "DIRAC" ]
6ad1fa357da81de9aabf689ca5097af5759a7e92916a3dabdffb6bbf830a4f05
""" dmath v0.9.1 Python math module for Decimal numbers. All functions should return Decimal numbers. Probably only works with real numbers. pi, exp, cos, sin from Decimal recipes: http://docs.python.org/lib/decimal-recipes.html float_to_decimal from Decimal FAQ: http://docs.python.org/lib/decimal-faq.html...
SeanHayes/dmath
dmath/__init__.py
Python
mit
15,535
[ "Brian" ]
4db90997563a11675ff24526f7ada5374e229558ab14b7257851ec059fd99ee2
""" To know more or get code samples, please visit my website: https://morvanzhou.github.io/tutorials/ Or search: 莫烦Python Thank you for supporting! """ # please note, all tutorial code are running under python3.5. # If you use the version like python2.7, please modify the code accordingly # 8 - RNN Classifier exampl...
tencrance/cool-config
ml_keras_learn/tutorials/kerasTUT/7-RNN_Classifier_example.py
Python
mit
2,500
[ "VisIt" ]
38aa284e061d884f2bd2070d23ae3f71597859dcac893d6f4c71170a729a4eb3
import filecmp import logging import os import tempfile from galaxy.tools import Tool from galaxy.tools import parameters from galaxy.tools.parameters import dynamic_options from tool_shed.tools import data_table_manager from tool_shed.util import basic_util from tool_shed.util import hg_util from tool_shed.util imp...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/tool_shed/tools/tool_validator.py
Python
gpl-3.0
19,484
[ "Galaxy" ]
f0fedcb388ed8bca7915d49dba64a4b1a5cea36548e561b4acdeac715a761371
## twofish.py - pure Python implementation of the Twofish algorithm. ## Bjorn Edstrom <be@bjrn.se> 13 december 2007. ## ## Copyrights ## ========== ## ## This code is a derived from an implementation by Dr Brian Gladman ## (gladman@seven77.demon.co.uk) which is subject to the following license. ## This Python implemen...
hupf/passwordchest
src/loxodo/twofish/twofish.py
Python
gpl-2.0
15,604
[ "Brian" ]
492a062654877babce335af4703f272f14bb395bbf7f18135b252ad6773aed97
import networkx as nx import numpy as np import pandas as pd import mdtraj as md from mixtape.utils import iterobjects input_filename = "./hmms.jsonlines" models = list(iterobjects(input_filename)) df = pd.DataFrame(models) x = df.ix[0] T = np.array(x["transmat"]) p = np.array(x["populations"]) g = nx.from_numpy_...
choderalab/MSMs
attic/src/code/hmsm/plot_network.py
Python
gpl-2.0
573
[ "MDTraj" ]
d6ca22483f8ca62bb48b41a1ec936562fee32f804b5f6f042bdbf73afb3f6e97
#!/usr/bin/python -u import os, subprocess from argparse import Namespace from gmx_lib import run_setup, gro_and_top from gmx_lib.run_setup import WorkdirStructure from gmx_lib.gmx_engine import GmxEngine from gmx_lib.gmx_params import GmxParameters from gmx01_core import core ##################################...
ivanamihalek/smallmol
gmx07_protein_RNA_simple.py
Python
gpl-2.0
2,494
[ "Gromacs" ]
1d3c0011c36a788bee88cddf08d146d0063fc194bf40ba5839735390a227a001
exampleText_2D = """\ Example 2D data for testing Paste your own 2D data here X Y 5.357 10.376 5.457 10.489 5.936 11.049 6.161 11.327 ending text is ignored 6.697 12.054 8.442 14.744 9.769 17.068 9.861 17.104 """ exampleText_3D = """\ Example 3D data for testing Paste your own 3D da...
endolith/pyeq2
Examples/GUI/guifiles/DataForControls.py
Python
bsd-2-clause
1,856
[ "Gaussian" ]
66923614840bd603da9580c78ec7dcb7d8c8dc905b4613384aeea8c30390fef6
################################################################## # Copyright 2018 Open Source Geospatial Foundation and others # # licensed under MIT, Please consult LICENSE.txt for details # ################################################################## """Validating functions for various inputs """ im...
bird-house/PyWPS
pywps/validator/__init__.py
Python
mit
1,971
[ "NetCDF" ]
3650dfcc3850e72aeade783f2aa16fdddb619f7693b153d631098f5c19eab330
# # Copyright 2001 - 2006 Ludek Smid [http://www.ospace.net/] # # This file is part of IGE - Outer Space. # # IGE - Outer Space 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...
OuterDeepSpace/OuterDeepSpace
libs/client/osci/dialog/MessagesDlg.py
Python
gpl-2.0
17,842
[ "Galaxy" ]
cda10675d50fd3b13147955b40ba9dee3f849a6ccc263f1ad6d7b9fed44068ae
from flask import url_for, request, current_app from markupsafe import Markup from . import get_renderer class NavigationItem(object): """Base for all items in a Navigation. Every item inside a navigational view should derive from this class. """ #: Indicates whether or not the item represents the ...
mbr/flask-nav
flask_nav/elements.py
Python
mit
3,907
[ "VisIt" ]
2fa6574597d3f68ac853c31e7dc598e9e7364f2d03cc36affcb4ad6da685d08f
"""Draws a simple axes using tvtk.CubeAxesActor2D. """ # Author: Prabhu Ramachandran <prabhu_r@users.sf.net> # Copyright (c) 2005-2006, Enthought, Inc. # License: BSD Style. # Enthought library imports. from traits.api import Instance, Property, true from traitsui.api import View, Group, HGroup, \ Item, Boolea...
dmsurti/mayavi
mayavi/modules/axes.py
Python
bsd-3-clause
9,396
[ "Mayavi", "VTK" ]
edaeb28f31a004a97d58c9a400b4c7d493148506723f4d9c01e7727136745228
""" Tests the representation of site pages. """ import logging from unittest import TestCase from unittest.mock import Mock import pytest from selenium.common.exceptions import WebDriverException from bok_choy.page_object import (PageLoadError, PageObject, WrongPageError, unguarded)...
edx/bok-choy
tests/test_page_object.py
Python
apache-2.0
5,641
[ "VisIt" ]
aaf78cd9bbbfb359d72c99994224d49a43b4c1b1217c7405416ed52c2ddff6d9
from arrow.arrow import Arrow from django import forms from django.apps import apps as django_apps from django.conf import settings from django.utils import timezone from edc_base.utils import convert_php_dateformat from edc_constants.constants import YES, NO from edc_form_validators import FormValidator class Requis...
botswana-harvard/edc-lab
edc_lab/forms/modelform_mixins.py
Python
gpl-2.0
4,560
[ "VisIt" ]
9be4315da662722a12e718e2d6ed3690d577e5b7db25e659de7cafb5a8c9bdfd
#!/usr/bin/env python """Processed version of the documentation. The documentation from the objects of raw_doc is further processed into objects from the module proc_doc. These objects can then be processed into structured documents such as HTML more easily. """ # TODO(holtgrew): Location traceability for entries an...
weese/seqan
util/py_lib/seqan/dox/proc_doc.py
Python
bsd-3-clause
55,324
[ "VisIt" ]
f36a5941d486cc71fa38b8401970c26d73be8f8bb95be48eab7be5af61f9e004
from gandalf.analysis.facade import * import numpy as np from scipy.stats import powerlaw #Usual stuff that we saw before sim=newsim(ndim=3,sim='sph') #Here a few parameters that you might want to set #Of course you can set other ones if you want sim.SetParam('ic','python') Ngas=? sim.SetParam('Nhydro',Ngas) #or wha...
gandalfcode/gandalfcode.github.io
gandalf-school/disc_stub.py
Python
gpl-2.0
1,902
[ "Gaussian" ]
8e683fceb61c9bdb170fe49e64309bb97400ecb485a31e74965dc8eb5e0c0df2
#!/usr/bin/env python import sys import requests import requests_cache from bs4 import BeautifulSoup from pprint import pprint from lib.csvtools import dict_to_csv def main() : requests_cache.install_cache('scraper_cache') domain = "http://web.raleighchamber.org" caturls = [] compur...
jctanner/scrapers
ralcham.py
Python
apache-2.0
2,524
[ "VisIt" ]
71f50bf54a8dc12d1dddab69d7a56b42e62c290b87955cc045ec089aff461c52
"""Script to install mooltool on developer and test machines. We use python virtual environment based approach for setting up the development environment. Required packages before the script can be used are: * Java >= 1.7.0 * python >= 2.7.3 * g++ It is supposed to work on Mac OS, Ubuntu and Centos. Please visit mool...
rocketfuel/mool
installer/install_mooltool.py
Python
bsd-3-clause
32,679
[ "VisIt" ]
1b3e1c8e80a5207cf09b55317c3eea586c2558659b439006f93a14a04ece4a47
# -*- coding: utf-8 -*- # imports here from aiida.parsers.exceptions import OutputParsingError # from aiida.orm.data.folder import FolderData from aiida.orm.data.parameter import ParameterData from aiida.orm.data.structure import StructureData from aiida.orm.data.array import ArrayData # from aiida.parsers.plugins.vas...
abelcarreras/aiida_extensions
plugins/parsers/vasp/instruction/data/output_parameters.py
Python
mit
2,130
[ "VASP", "phonopy", "pymatgen" ]
f1e8d5bc288ccccc254e1c0101d00593d586aa139d742929ecff6157474a383f
"""Interfaces to different ASE compatible force-calculators.""" import numpy as np from ase import _deprecate_things_from_ase_module from ase.calculators.lj import LennardJones from ase.calculators.emt import EMT from ase.calculators.siesta import Siesta from ase.calculators.dacapo import Dacapo from ase.calculators....
slabanja/ase
ase/calculators/__init__.py
Python
gpl-2.0
1,123
[ "ASE", "SIESTA", "TURBOMOLE", "VASP", "exciting" ]
7ff47aa5a6fccc1563e8e422612fab86249f53265679c32f16eb7a7510c4b80b
# Copyright 2018 the GPflow 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 law or agreed to in writi...
GPflow/GPflow
tests/gpflow/test_logdensities.py
Python
apache-2.0
4,339
[ "Gaussian" ]
8d80d17ed4397174d53eba255d7a4c82d1d8a73d1bbd76388963a8d2dcd28da8
# ============================================================================ # # Copyright (C) 2007-2010 Conceptive Engineering bvba. All rights reserved. # www.conceptive.be / project-camelot@conceptive.be # # This file is part of the Camelot Library. # # This file may be used under the terms of the GNU General...
kurtraschke/camelot
camelot/view/plugins/manytooneeditorplugin.py
Python
gpl-2.0
1,494
[ "VisIt" ]
f27d7e1bb90122570662a1fb15a51c20ff9bd3c4813156cb773309203d3ce004
import copy import numpy import vigra from functools import partial from lazyflow.graph import Operator, InputSlot, OutputSlot from lazyflow.operators.operators import OpSlicedBlockedArrayCache, OpUnblockedArrayCache from lazyflow.roi import enlargeRoiForHalo, roiToSlice from lazyflow.request import Request, RequestPo...
nielsbuwen/ilastik
ilastik/applets/iiboostFeatureSelection/opIIBoostFeatureSelection.py
Python
gpl-3.0
18,961
[ "Gaussian" ]
508a1da7971ad900853e42b278690b567b15d9a9677ba8a5e8530b3e28170763
""" GWR is tested against results from GWR4 """ import unittest import pickle as pk from crankshaft.regression.gwr.gwr import GWR, FBGWR from crankshaft.regression.gwr.sel_bw import Sel_BW from crankshaft.regression.gwr.diagnostics import get_AICc, get_AIC, get_BIC, get_CV from crankshaft.regression.glm.family import ...
CartoDB/crankshaft
release/python/0.8.2/crankshaft/crankshaft/regression/gwr/base/tests/test_gwr.py
Python
bsd-3-clause
45,423
[ "Gaussian" ]
12d5d29d68cba85e201ce68b21615e3b3e33173b634d2adc0258906ad7f38dc4
## ## Biskit, a toolkit for the manipulation of macromolecular structures ## Copyright (C) 2009 Peter Schmidtke, Raik Gruenberg ## ## 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 versi...
graik/biskit
biskit/edparser.py
Python
gpl-3.0
7,985
[ "VMD" ]
69c091cd66e41d1b1dd708273ed51dffde16eed4f1647635eb583ef1e4f32f21
import lb_loader import simtk.openmm.app as app import numpy as np import pandas as pd import simtk.openmm as mm from simtk import unit as u from openmmtools import hmc_integrators, testsystems pd.set_option('display.width', 1000) n_steps = 3000 temperature = 300. * u.kelvin #testsystem = testsystems.LennardJonesFlui...
kyleabeauchamp/HMCNotes
code/old/test_xhmc.py
Python
gpl-2.0
2,490
[ "OpenMM" ]
366caf730427537222815573d0efbd537ddc3ea1701f1896f983c116243381fa
#!/usr/bin/env python import os, sys import pickleTraj import cgmodel as cg # LDCuts:-- # BB: 1st shell or 2nd shell # WW: 1st shell or 2nd shell (both must be same shell) # BW and WB : (BB+WW)/2 NB = int(sys.argv[1]) NW = int(sys.argv[2]) LammpsTraj = '/home/cask0/home/tsanyal/benwat/data/gromacs/NB%dNW%d/NB%dNW%d_...
tanmoy7989/benwat
data/cgff/NB250NW250/control/main_cg.py
Python
gpl-2.0
2,047
[ "Gromacs" ]
259d8165744d24075b46d357e9fbeb1b9989ba2038cfc15fcc15f494c71df076
# -*- coding: utf-8 -*- import os import tempfile import types import json from mock import patch from nose.tools import eq_ from helper import TestCase import appvalidator.constants from appvalidator.errorbundle import ErrorBundle from appvalidator.specs.webapps import WebappSpec import appvalidator.webapp class T...
diox/app-validator
tests/test_webapp.py
Python
bsd-3-clause
55,192
[ "exciting" ]
412aab867863f9c405d6275db76131a3d0fbab5d2a1f3bca97a602dbacaab727
from math import sqrt from ase import Atoms, Atom from ase.constraints import FixAtoms from ase.calculators.emt import EMT from ase.optimize import QuasiNewton from ase.io import read from ase.vibrations import Vibrations from ase.visualize import view # Distance between Cu atoms on a (100) surface: d = 3.6 / sqrt(2) ...
grhawk/ASE
tools/ase/test/replay.py
Python
gpl-2.0
965
[ "ASE" ]
8154aa84c92c006c3f6bf710f08d0756b96bd58f975fa61e4f8b5eff01103376
""" ================================ Time-related feature engineering ================================ This notebook introduces different strategies to leverage time-related features for a bike sharing demand regression task that is highly dependent on business cycles (days, weeks, months) and yearly season cycles. I...
manhhomienbienthuy/scikit-learn
examples/applications/plot_cyclical_feature_engineering.py
Python
bsd-3-clause
31,012
[ "Gaussian" ]
3b26a036a232455a7553c0e04f9291fa82723b9ba94562a1205083040fb91a0a
# Copyright (C) 2002, Thomas Hamelryck (thamelry@binf.ku.dk) # 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. # NACCESS interface adapted from Bio/PDB/DSSP.py import os, sys, tempfile from Bio.PDB.PD...
dbmi-pitt/DIKB-Micropublication
scripts/mp-scripts/Bio/PDB/NACCESS.py
Python
apache-2.0
6,798
[ "Biopython" ]
d9ff05a604a648c7d37bd356afc7865094ac1e9eabc6f7f7e4d087bc54313bb5
#=============================================================================== # LICENSE XOT-Framework - CC BY-NC-ND #=============================================================================== # This work is licenced under the Creative Commons # Attribution-Non-Commercial-No Derivative Works 3.0 Unported Lic...
SMALLplayer/smallplayer-image-creator
storage/.xbmc/addons/net.rieter.xot.smallplayer/resources/libs/helpers/database.py
Python
gpl-2.0
8,320
[ "VisIt" ]
871965be939d68fefe0b5651ac03e4f7cefad39c0337981f2c810dd01dbc8227
# pylint: disable=C0111 # pylint: disable=W0621 from lettuce import world, step from common import * from terrain.steps import reload_the_page from selenium.common.exceptions import ( InvalidElementStateException, WebDriverException) from nose.tools import assert_in, assert_not_in, assert_equal, assert_not_equal ...
hkawasaki/kawasaki-aio8-1
cms/djangoapps/contentstore/features/grading.py
Python
agpl-3.0
7,108
[ "VisIt" ]
eab2565999983410b9cb132a9f9953284f06a087e58e82dfdbd73d910c8435d6
"""Tests of tools for setting up interactive IPython sessions.""" import ast import uuid from diofant.interactive.session import (IntegerDivisionWrapper, unicode_identifiers) __all__ = () def test_IntegerDivisionWrapper(): tree = ast.parse('1/3') tree2 = ast.parse(...
diofant/diofant
diofant/tests/interactive/test_ipython.py
Python
bsd-3-clause
1,751
[ "VisIt" ]
3b4ea9d37b068e99b5638cabe4823b60fff6f671a764e95ef2b1c7ea8605ea04
""" The HTCondor TimeLeft utility interrogates the HTCondor batch system for the current CPU consumed, as well as its limit. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function import os from DIRAC import S_OK, S_ERROR from DIRAC.Resources.Computing.Batc...
ic-hep/DIRAC
src/DIRAC/Resources/Computing/BatchSystems/TimeLeft/HTCondorResourceUsage.py
Python
gpl-3.0
2,636
[ "DIRAC" ]
a2e148da757cb2357cac802152d66e45441adae02708d884427f171f575380a5
""" Base classes for classification """ import numpy # import matplotlib as mpl # mpl.rcParams['text.usetex']=True # mpl.rcParams['text.latex.unicode']=True import matplotlib.pyplot as plt import os import cPickle import logging import math import numpy import os import timeit import warnings # base class from pyS...
MMKrell/pyspace
pySPACE/missions/nodes/classification/base.py
Python
gpl-3.0
89,554
[ "Gaussian" ]
212cbb05bb29aa308e135b8558bdf11fbc67d1d09f5b88500b031ad30dd11cdc
"""Main entry point for distributed next-gen sequencing pipelines. Handles running the full pipeline based on instructions """ from collections import defaultdict import copy import os import sys import resource import tempfile import yaml from bcbio import log, heterogeneity, hla, structural, utils from bcbio.cwl.i...
Cyberbio-Lab/bcbio-nextgen
bcbio/pipeline/main.py
Python
mit
21,648
[ "Bowtie" ]
74a3ac676219d2ebf7575ad48375c679f82648f326bdf4a5a4c9f2086c56845c
# -*- coding: utf-8 -*- { '"update" is an optional expression like "field1=\'newvalue\'". You cannot update or delete the results of a JOIN': '\\ " update\\ " è un\' espressione facoltativa come " field1=\'newvalue\'". Non è possibile aggiornare o eliminare i risultati di una JOIN', '# of International Staff': '# di Pe...
flavour/eden
languages/it.py
Python
mit
392,619
[ "VisIt" ]
aa57801440c16a05e936aab38fff4e81aa37fefd71b094450239a0ca67cdcddb
# peppy Copyright (c) 2006-2010 Rob McMullen # Licenced under the GPLv2; see http://peppy.flipturn.org for more info """Hyperspectral image processing filters This file is a repository of actions that operate on the HSI mode. """ import os, struct, mmap, math from cStringIO import StringIO import wx from peppy.acti...
robmcmullen/peppy
peppy/hsi/filter_menu.py
Python
gpl-2.0
7,831
[ "Gaussian" ]
d5b02c7d90111b142c3dc31964c510f18c1aaaaaf3c49455d1d70a0c2e070f4d
""" ====================================================================== A demo of structured Ward hierarchical clustering on an image of coins ====================================================================== Compute the segmentation of a 2D image with Ward hierarchical clustering. The clustering is spatially ...
scikit-learn/scikit-learn
examples/cluster/plot_coin_ward_segmentation.py
Python
bsd-3-clause
2,386
[ "Gaussian" ]
6b66f7e3f037bb961e42a2e9eeec11c9983da72c670435f64d50d201c666c429
import six from nn.layer import Layer from theano import dot from theano.tensor import tanh class ContiguousLayer(Layer) : '''This class describes a Contiguous Neural Layer. layerID : unique name identifier for this layer inputSize : number of elements in input buffer. This can al...
mbojrab/playbox
trunk/modules/python/nn/contiguousLayer.py
Python
mit
4,593
[ "NEURON" ]
47f2cfd97922a929ea4cf23d19b6a33b447155ef1e3474592205a17c1790ca4b
import PyQt5 # this force pyqtgraph to deal with Qt5 # For matplotlib to Qt5 : # * this avoid tinker problem when not installed # * work better with GUI # * trigger a warning on notebook import matplotlib import warnings with warnings.catch_warnings(): try: ...
tridesclous/tridesclous
tridesclous/gui/__init__.py
Python
mit
2,001
[ "TINKER" ]
3798dda70a1a8da654efa5be7d26f5026e01c2d0c0120761abb254ef653f36d8
#!/bin/env python3 import sys import os import os.path import traceback from os.path import join, dirname, realpath try: sys.path.append(join(dirname(realpath(__file__)), '..', '..', 'common', 'src')) except NameError: pass from collections import defaultdict from pysamimport import py...
HorvathLab/NGS
SCExecute/src/scBAMStats.py
Python
mit
2,970
[ "pysam" ]
3321dc35fdc6faf8b9d5dd8bc960a646d43729d787bf28be37b3da2084f17061
#!env python from __future__ import print_function, division from collections import namedtuple import unittest import numpy as np from numpy import array, concatenate, dot, eye, log, outer, zeros, \ r_, c_, pi, mean, cov from numpy.random import rand, randn from numpy.linalg import cholesky, det, inv from scipy i...
mcobzarenco/nce-models
ncegauss.py
Python
gpl-2.0
8,158
[ "Gaussian" ]
c6224e7522d22926ebc80f051dc0023cc4b279d62232f7e60c1fb694b7684e1d
"""Build an index of top-level symbols from Python modules and packages.""" import os import sys import ast import json import logging import re from contextlib import contextmanager from distutils import sysconfig from importmagic.util import parse_ast LIB_LOCATIONS = sorted(set(( (sysconfig.get_python_lib(st...
pombredanne/importmagic
importmagic/index.py
Python
bsd-2-clause
14,475
[ "VisIt" ]
b291aeeeb088b65e12f9be007d81c88489fc0d5bc1e8ebf2193b937c3610b50d
from typing import Any from sqlalchemy import select from sqlalchemy.ext.asyncio import AsyncEngine, AsyncSession from virtool.blast.models import NuVsBlast from virtool.db.transforms import AbstractTransform from virtool.types import Document class AttachNuVsBLAST(AbstractTransform): """ Attach BLAST recor...
igboyes/virtool
virtool/blast/transform.py
Python
mit
1,493
[ "BLAST" ]
d1320d6334a9364736ee9f44c25f54adc9280b447489606539e9964674a99dd1
#!python # ---------------------------------------- # scikit-ribo # ---------------------------------------- # main wrapper # ---------------------------------------- # author: Han Fang # contact: hanfang.cshl@gmail.com # website: hanfang.github.io # date: 3/28/2017 # ---------------------------------------- from __f...
hanfang/scikit-ribo
build/scripts-3.4/scikit-ribo-run.py
Python
gpl-2.0
9,520
[ "pysam" ]
9cd86019490cd49c463739d8be064c7cb8d1140df2503e98a8ee053309b8c6bb
# (c) 2012-2014, Michael DeHaan <michael.dehaan@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 Software Foundation, either version 3 of the License, or # (at your option) an...
hfinucane/ansible
lib/ansible/constants.py
Python
gpl-3.0
22,042
[ "Galaxy", "MOOSE" ]
d5eb1d0b6ee0a28320b5de4dfd623556178d10dc2a740bbb9de06a0df77055d0
from __future__ import with_statement __license__ = 'GPL v3' __copyright__ = '2008, Kovid Goyal <kovid at kovidgoyal.net>' ''' Defines various abstract base classes that can be subclassed to create powerful news fetching recipes. ''' __docformat__ = "restructuredtext en" import os, time, traceback, re, urlparse, sy...
insomnia-lab/calibre
src/calibre/web/feeds/news.py
Python
gpl-3.0
73,428
[ "VisIt" ]
30e34da41b48b9f92f78e4f8876a86807481183358c1cc955f6c3530534cec3b
# SVI for a GMM # Modified from # https://github.com/brendanhasz/svi-gaussian-mixture-model/blob/master/BayesianGaussianMixtureModel.ipynb #pip install tf-nightly #pip install --upgrade tfp-nightly -q # Imports import superimport import numpy as np import matplotlib.pyplot as plt import seaborn as sns import tensorf...
probml/pyprobml
scripts/svi_gmm_model_tfp.py
Python
mit
4,690
[ "Gaussian" ]
508fe5beb528f576a99c53703cc19ba873040fceb7d9dd147c8993aab5ac2f27
## To Do: ## If a value outside of the original range is applied, the scalar bar range is not updated. ## Refers to TriangleWriter in _save_fired() - change to correct location ## More descriptive description # Author: Daryl Harrison # Enthought library imports from enthought.traits.api import Instance, Range, Bool, ...
FluidityStokes/fluidity
mayavi/mayavi_amcg/filters/boundary_marker_editor.py
Python
lgpl-2.1
7,799
[ "Mayavi" ]
692c7ef00230ea8d9b18bf9636517cce358260bcb390de7087de4901f78a71f5
# (c) 2012-2014, Michael DeHaan <michael.dehaan@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 Software Foundation, either version 3 of the License, or # (at your option) an...
emersonsoftware/ansiblefork
lib/ansible/constants.py
Python
gpl-3.0
28,895
[ "Galaxy", "MOOSE" ]
42547e9953ec2c26b4e18887f7e4aeaafd69fd909f63fa2fb7d11aac3a1c726d
#!/cm/shared/apps/intelpython/intelpython3/bin/python ##!/Users/fujinobuaki/anaconda/bin/python ##!/tools/python """ This is a very simple plot script that reads a 3D DSM-Kernel sensitivity kernel file and make a plot of it. """ import matplotlib.pyplot as plt import numpy as np import sys from pyevtk.hl import gridTo...
IPGP/DSM-Kernel
examples/global_kernels/multiplekernel_write_vtk.py
Python
gpl-3.0
9,150
[ "VTK" ]
e9c44116d4a2532aa9e50bc9e2f2674fe92bf4ab44bd516f0956a807ac23f578
#!/usr/bin/env python import argparse from pathlib import Path from packaging.version import Version import requests def make_release(version, commit_hash, release_notes=""): """Create a new GitHub release using the given data This function always makes a pre-release first to ensure the "latest" release nev...
DIRACGrid/DIRAC
.github/workflows/make_release.py
Python
gpl-3.0
2,264
[ "DIRAC" ]
ac1e0f0c8ebe48ee6765945409d77af4329cb895b20eac289a56f5b608cc1b54
############################################################################## # adaptiveMD: A Python Framework to Run Adaptive Molecular Dynamics (MD) # Simulations on HPC Resources # Copyright 2017 FU Berlin and the Authors # # Authors: Jan-Hendrik Prinz # Contributors: # # `adaptiveMD` is free software: ...
markovmodel/adaptivemd
adaptivemd/util.py
Python
lgpl-2.1
5,983
[ "MDTraj" ]
e0927fb885a0190ecaea8d66f860a0883ed91d214bfc86ecf7feb6efe69a074b
from flyingpigeon.visualisation import map_ensembleRobustness from flyingpigeon.utils import get_variable from flyingpigeon.utils import sort_by_filename from flyingpigeon.utils import get_time import logging logger = logging.getLogger(__name__) def worker(resource=[], start=None, end=None, timeslice=20, vari...
sradanov/flyingpigeon
flyingpigeon/ensembleRobustness.py
Python
apache-2.0
6,739
[ "NetCDF" ]
1708418034408404f3e444af3922831f2085644ab545b8002c121693764d8b0d
"""Tests for running lammps using CUDS and Simulation classes.""" import unittest from simphony.api import CUDS, Simulation from simphony.core.cuba import CUBA from simphony.cuds.meta import api from simphony.cuds.particles import Particles from simphony.engine import EngineInterface from simphony.testing.utils import...
simphony/simphony-lammps-md
simlammps/tests/test_cuds.py
Python
bsd-2-clause
1,598
[ "LAMMPS" ]
7d15b23a5dae409a922729ffe7d6d309f3acae82eb0003d74e6fd9624f279194
# $HeadURL: $ """ ResourceStatus Module use to switch between the CS and the RSS. """ from DIRAC import S_OK, S_ERROR from DIRAC.Core.Utilities.DIRACSingleton import DIRACSingleton from DIRAC.ConfigurationSystem.Client.Helpers import Re...
miloszz/DIRAC
ResourceStatusSystem/Client/ResourceStatus.py
Python
gpl-3.0
12,716
[ "DIRAC" ]
97491d9e5acc0ffafbae350700bfadd386b91ff173c8b98cef945b17728646d0
from numpy.testing import assert_equal, assert_array_equal, assert_allclose from nose.tools import assert_true, assert_raises, assert_not_equal from copy import deepcopy import os.path as op import numpy as np from scipy import sparse import os import warnings from mne import read_evokeds from mne.datasets import test...
alexandrebarachant/mne-python
mne/tests/test_utils.py
Python
bsd-3-clause
21,617
[ "Mayavi" ]
8eed469663e76bd3d720b685c0c2a5057db56eac2fa3485af5f794e0b6396b54
""" Implementation of a language model class. TODO: write more documentation """ __docformat__ = 'restructedtext en' __authors__ = ("Razvan Pascanu " "KyungHyun Cho " "Caglar Gulcehre ") __contact__ = "Razvan Pascanu <r.pascanu@gmail>" import numpy import itertools import cPickle as p...
tomsbergmanis/gh_rnn_lm
groundhog/models/LM_model.py
Python
bsd-3-clause
10,364
[ "Gaussian" ]
b0e66be21809f7004a590e80fa07849f7c95dcf3fb0f0691bd22e6f3f6c77fed
from pysamimport import pysam import re, sys from collections import defaultdict class ChromLabels(object): def __init__(self,labels=[]): self.labels = list(labels) self.label2chrom = {} self.chrom2label = {} self.labelorder = {} self.scheme = None if len(self.lab...
HorvathLab/NGS
attic/readCounts/src/chromreg.py
Python
mit
7,413
[ "pysam" ]
1fca56ab08b8550cdd24ed066d52269f709d245408e1f2ebc75c160a25b00f40
# coding=utf-8 # Copyright 2020 The TF-Agents 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 # # https://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable la...
tensorflow/agents
tf_agents/agents/qtopt/qtopt_agent.py
Python
apache-2.0
28,159
[ "Gaussian" ]
004854f9fa2dead59f2cd3c2cdd6eb785499e4809a41a52c0ddfdfd301387690
# proxy module from __future__ import absolute_import from mayavi.modules.metadata import *
enthought/etsproxy
enthought/mayavi/modules/metadata.py
Python
bsd-3-clause
92
[ "Mayavi" ]
2615dbb41a42ba51221459d3cf74fb791136fd5e4f2630e4cdb26e39d80ebd4c
""" Filename: approximation.py Authors: Thomas Sargent, John Stachurski tauchen ------- Discretizes Gaussian linear AR(1) processes via Tauchen's method """ import numpy as np from scipy.stats import norm def tauchen(rho, sigma_u, m=3, n=7): """ Computes the Markov matrix associated with a discretized ver...
agutieda/QuantEcon.py
quantecon/markov/approximation.py
Python
bsd-3-clause
1,809
[ "Gaussian" ]
5958597605e97bca0a7f6906201b503b4ad5efeb67eae1a9cd37cd87fc720814
# -*- encoding:ascii -*- from mako import runtime, filters, cache UNDEFINED = runtime.UNDEFINED __M_dict_builtin = dict __M_locals_builtin = locals _magic_number = 6 _modified_time = 1417014254.639858 _template_filename=u'templates/refresh_frames.mako' _template_uri=u'/refresh_frames.mako' _template_cache=cache.Cache(_...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/database/compiled_templates/refresh_frames.mako.py
Python
gpl-3.0
3,420
[ "Galaxy" ]
6b900742da19ff275bbb146ae6f6d9dc013ac00408ced3699ef888340abcd149
import os import sys import vtkAll as vtk from ddapp import botpy import math import time import types import functools import numpy as np from collections import defaultdict from ddapp import transformUtils from ddapp import lcmUtils from ddapp.timercallback import TimerCallback from ddapp.asynctaskqueue import Async...
rdeits/director
src/python/ddapp/terraintask.py
Python
bsd-3-clause
62,670
[ "VTK" ]
83b20bcb1dc8fce9d97ffb2ae56c703582acadaad5510f7fd815eb1f5e63dd31
import pytest from tests.utils import resource_file from owslib.wps import WebProcessingService, WPSExecution, Process, is_reference, Input from owslib.etree import etree @pytest.fixture def wps(): '''Returns a WPS instance''' # Initialize WPS client wps = WebProcessingService('http://example.org/wps', ...
kalxas/OWSLib
tests/test_wps.py
Python
bsd-3-clause
3,259
[ "NetCDF" ]
b37ed8ce8a2bf956898f04d3fd8ca3f882635d8a1bd3e7d0bb94e37b7d143e18
import openpnm as op import numpy as np # work space and project ws = op.Workspace() proj = ws.new_project() # network np.random.seed(7) net = op.network.Cubic(shape=[20, 1, 1], spacing=1e-4, project=proj) # geometry geo = op.geometry.StickAndBall(network=net, pores=net.Ps, ...
TomTranter/OpenPNM
scripts/nonNewtonian_01.py
Python
mit
2,009
[ "VTK" ]
76e499fc30c09b85490bbcd6ef154a15abcca5224d7abe289451a1d177545170
import numpy as np import pandas as pd import simtk.openmm as mm from simtk import unit as u from openmmtools import hmc_integrators, testsystems opencl = mm.Platform_getPlatformByName("OpenCL") cuda = mm.Platform_getPlatformByName("CUDA") #platform = opencl platform = cuda n_steps = 5000 temperature = 300. * u.kelvi...
kyleabeauchamp/HMCNotes
code/old/test_hmc.py
Python
gpl-2.0
2,132
[ "OpenMM" ]
0b7b6e0b3a37f1b95bf0d49a779fa9827f894121d5170dd1d55a17cd251d403e
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2019 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
CDSherrill/psi4
psi4/driver/p4util/util.py
Python
lgpl-3.0
12,333
[ "Psi4" ]
10e247ad99eb851c80c062accc129218aeda03ffd9e27761fe51c0b7dcfccdfb
# Author: Robert McGibbon <rmcgibbo@gmail.com> # Contributors: # Copyright (c) 2014, Stanford University # All rights reserved. #----------------------------------------------------------------------------- # Imports #----------------------------------------------------------------------------- from __future__ import...
dotsdl/msmbuilder
msmbuilder/cluster/__init__.py
Python
lgpl-2.1
3,143
[ "MDTraj" ]
715ba19351c0d48f27b9c60352e193eba0d97f44423d849bbfac605a9843771f
# Copyright 2017 Google Inc. # # 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 to in writing, ...
hanmy75/voice-recognizer
src/action.py
Python
apache-2.0
11,287
[ "Galaxy" ]
4d5e5040dfc449b917fcc02c1a8e778472ee9d79e5eae4c1b463ad14f3253074
from __future__ import division from __future__ import absolute_import from __future__ import unicode_literals from __future__ import print_function # reinforcementTestClasses.py # --------------------------- # Licensing Information: Please do not distribute or publish solutions to this # project. You are free to use a...
rlpy/rlpy
rlpy/Domains/PacmanPackage/reinforcementTestClasses.py
Python
bsd-3-clause
48,402
[ "VisIt" ]
a8a6d1d2c983253500d74fae166c640812ec1954782493f7a0ff411aa152b7c2