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# Natural Language Toolkit: Logic # # Author: Dan Garrette <dhgarrette@gmail.com> # # Copyright (C) 2001-2013 NLTK Project # URL: <http://www.nltk.org> # For license information, see LICENSE.TXT """ A version of first order predicate logic, built on top of the typed lambda calculus. """ from __future__ import print_fu...
bbengfort/TextBlob
textblob/nltk/sem/logic.py
Python
mit
67,597
[ "VisIt" ]
440dc8645195de21ef7612edf857a1e927399dadeb5fbf03e1369a43dca15cc0
# Copyright 2014 The Oppia 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 applicable ...
AllanYangZhou/oppia
core/controllers/reader_test.py
Python
apache-2.0
70,581
[ "VisIt" ]
270dfb898836bb250bcac8c586717239ce957c9115631286653792936fc9d75a
#!/usr/bin/env python # Copyright 2014-2019 The PySCF Developers. 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 # # U...
gkc1000/pyscf
pyscf/prop/hfc/uhf.py
Python
apache-2.0
12,140
[ "PySCF" ]
c4a4fe7dd8debb611cba8c2fe4ce75a146c028fd7fbec7736f89a32e76c22518
""" PHYLIP multiple sequence alignment format (:mod:`skbio.io.format.phylip`) ========================================================================= .. currentmodule:: skbio.io.format.phylip The PHYLIP file format stores a multiple sequence alignment. The format was originally defined and used in Joe Felsenstein's...
wdwvt1/scikit-bio
skbio/io/format/phylip.py
Python
bsd-3-clause
13,510
[ "BioPerl", "scikit-bio" ]
8880b1009cc6f5a50abfc32eee42bd0a73fa8cdb02d15a8c8c01d13fefbf2a5f
""" This file is a prebuilt library to wrap splinter. It goes with the environments.py You can use it to quickly setup tests using only feature files. For more splinter documentation visit their site at http://splinter.cobrateam.info/ The browser object you would use in splinter is available via context.browser It is ...
mc706/prog-strat-game
core/features/steps/webseed.py
Python
mit
7,496
[ "VisIt" ]
1602e4c85bd7dacf535cbeee660e50e94b2369b02d4e44a23e4f14db6ed2dfef
"""openmoltools: Tools for Small Molecules, Antechamber, OpenMM, and More. """ from __future__ import print_function DOCLINES = __doc__.split("\n") import os import sys import shutil import tempfile import subprocess from distutils.ccompiler import new_compiler from setuptools import setup, Extension import numpy tr...
Clyde-fare/openmoltools
setup.py
Python
gpl-2.0
1,905
[ "OpenMM" ]
b1189cd3e064cf18bd5fa91b6a4a26640050ac3afcb6897497f25908b816d7b1
r"""XML-RPC Servers. This module can be used to create simple XML-RPC servers by creating a server and either installing functions, a class instance, or by extending the SimpleXMLRPCServer class. It can also be used to handle XML-RPC requests in a CGI environment using CGIXMLRPCRequestHandler. The Doc* classes can b...
yotchang4s/cafebabepy
src/main/python/xmlrpc/server.py
Python
bsd-3-clause
36,661
[ "Brian" ]
902a09d52754874b68b669d19cfc223074af61f0bd0bb39559ae476ccf9bd28b
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import unittest import os import numpy as np import random from pymatgen.analysis.defects.utils import QModel, eV_to_k, \ generate_reciprocal_vectors_squared, genrecip, \ closestsites, StructureMotifI...
dongsenfo/pymatgen
pymatgen/analysis/defects/tests/test_utils.py
Python
mit
15,852
[ "VASP", "pymatgen" ]
df39e754551ac5f138cec72592bb680b25d3ae7b079a06c450f85def9adb7ce4
import numpy as np import mayavi.mlab as mlab import moviepy.editor as mpy duration= 2 # duration of the animation in seconds (it will loop) fig_myv = mlab.figure(size=(220,220), bgcolor=(1,1,1)) X, Y = np.linspace(-2,2,200), np.linspace(-2,2,200) XX, YY = np.meshgrid(X,Y) ZZ = lambda d: np.sinc(XX**2+YY*...
solvery/lang-features
python/use_lib/video_1/mayavi_3.py
Python
gpl-2.0
625
[ "Mayavi" ]
fc42ee7fd1d59bd6208577fbf63805585f2bf8e589f852a33b313c60957e0685
# Orca # # Copyright 2005-2008 Sun Microsystems Inc. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This...
Alberto-Beralix/Beralix
i386-squashfs-root/usr/share/pyshared/orca/scripts/apps/gtk-window-decorator/script.py
Python
gpl-3.0
4,550
[ "ORCA" ]
6e73709e3409cdf34ea76330474cfe337bd486d0fc1549734f9865bb31b21be0
import os, sys, re, inspect, types, errno, pprint, subprocess, io, shutil, time, copy import path_tool path_tool.activate_module('FactorySystem') path_tool.activate_module('argparse') from ParseGetPot import ParseGetPot from socket import gethostname #from options import * from util import * from RunParallel import R...
jinmm1992/moose
python/TestHarness/TestHarness.py
Python
lgpl-2.1
40,239
[ "MOOSE", "VTK" ]
645fdd2342f471a5564969759b25fa62c2ed021e4e5fcf28eb77bab3a7d1d952
# Author: Meduri Venkata Shivaditya import superimport import numpy as np import matplotlib.pyplot as plt from scipy.stats import norm, multivariate_normal import bayes_logistic # pip install bayes_logistic import warnings import pyprobml_utils as pml warnings.filterwarnings("ignore", category=RuntimeWarning) np.ran...
probml/pyprobml
scripts/logreg_laplace_demo.py
Python
mit
5,192
[ "VisIt" ]
f413b8c53ed575e6bbc6308f6cbf042d4d3fdd7671ad6c02d91f654632a3a0d8
class ClauseVisitor(object): """Traverses and visits ``ClauseElement`` structures. Calls visit_XXX() methods dynamically generated for each particular ``ClauseElement`` subclass encountered. Traversal of a hierarchy of ``ClauseElements`` is achieved via the ``traverse()`` method, which is pass...
santisiri/popego
envs/ALPHA-POPEGO/lib/python2.5/site-packages/SQLAlchemy-0.4.3-py2.5.egg/sqlalchemy/sql/visitors.py
Python
bsd-3-clause
3,851
[ "VisIt" ]
0f113e0468ff6c80d3bceb42abf6d7bf07e41ff09e3e6c90a31dd0ad1f4bfb72
#!/usr/bin/env python ######################################## #Globale Karte fuer tests # from Rabea Amther ######################################## # http://gfesuite.noaa.gov/developer/netCDFPythonInterface.html import math import numpy as np import pandas as pd from pandas import * import pylab as pl import Scient...
CopyChat/Plotting
Python/climate_change/swio_changes_rsds_rcp85.py
Python
gpl-3.0
8,465
[ "NetCDF" ]
1a87595c204392d6ea40443f581c8b594cf0aa897215ef696db1a27f9611418e
#=============================================================================== # Hangman, in Python #------------------------------------------------------------------------------- # Version: 1.1.0 # Updated: 24-01-2014 # Author: Alex Crawford # License: MIT #==========================================================...
Trebek/hangman-python
hangman.py
Python
mit
15,596
[ "exciting" ]
f0611da69715a53a5293437cfa079da7d1ceb99d367796e9c38aa3bb2daf6e85
#!/usr/bin/env python # Copyright 2014-2018 The PySCF Developers. 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 # # U...
gkc1000/pyscf
pyscf/scf/test/test_addons.py
Python
apache-2.0
20,192
[ "PySCF" ]
bcfcc9dfb749e7a9a32785380e31854a434fa2ca55d90f111956caf1c1031683
# -*- coding: utf-8 -*- """ solace.forms ~~~~~~~~~~~~ Implements the form handling. The code here largely comes from the Zine form handling system, without the Zine dependency. :copyright: (c) 2010 by the Solace Team, see AUTHORS for more details. (c) 2009 by Plurk Inc., see AUTHO...
mitsuhiko/solace
solace/utils/forms.py
Python
bsd-3-clause
62,177
[ "VisIt" ]
3204b089b2d0053da93f6c2c99ef6d92add5fc822bff6b8393d7f620b910a02b
import os from config import * from copy import deepcopy from geometry import * class Min3p: """A class that gathers thhe actions for min3p chemistry, except writing that is left to min3pwriter""" def __init__(self, core): self.core = core self.initBase() self.nodes = None ...
ORTI3D/ORTI3D_code
iliblast/Min3p.py
Python
gpl-3.0
16,931
[ "VTK" ]
d10142e4078476789e4ecd5a0f88163076d0018a9e4e63d9e4fe84889a3d7b08
from module_base import ModuleBase from module_mixins import NoConfigModuleMixin import module_utils import vtk class testModule(NoConfigModuleMixin, ModuleBase): def __init__(self, module_manager): # initialise our base class ModuleBase.__init__(self, module_manager) # we'll be playing ...
chrisidefix/devide
modules/user/testModule.py
Python
bsd-3-clause
2,148
[ "VTK" ]
1a75095240ca885a6a38350c0b5cb51d2b01e0154c87ff883c8baeb65e4c3f9d
""" Channelend module Copyright (c) 2009 John Markus Bjoerndalen <jmb@cs.uit.no>, Brian Vinter <vinter@nbi.dk>, Rune M. Friborg <rune.m.friborg@gmail.com>. See LICENSE.txt for licensing details (MIT License). """ from pycsp.greenlets.exceptions import * from pycsp.common.const import * def retire(*list_of_cha...
runefriborg/pycsp
pycsp/greenlets/channelend.py
Python
mit
3,002
[ "Brian" ]
2588f2656fb091e15413b521df834ed1f8fb74563b093f6fc315ab06859fcc19
from pymol import cmd from random import random import time # this shows how you can efficiently update the coordinates # of an existing model for real-time viewing # for asychronous execution, you want to run this using the "spawn" # command from inside PyMOL or with the "-l" option from the unix shell # WARNING: ...
gratefulfrog/lib
python/pymol/pymol_path/examples/devel/chempy_model02.py
Python
gpl-2.0
1,862
[ "PyMOL" ]
9a186a1c27b275a66c562b37802c37ac7b9b8751c9b360e031573e0efb4bb177
# Copyright (C) 2010-2019 The ESPResSo project # # 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 License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later v...
fweik/espresso
testsuite/python/pressure.py
Python
gpl-3.0
14,993
[ "ESPResSo" ]
a8dcb46ee0ae9e55bee9534eb7f5db636292315fca8ca32890259e71310823f0
""" .. autoclass:: revscoring.scorer_models.nb.GaussianNB :members: :member-order: .. autoclass:: revscoring.scorer_models.nb.MultinomialNB :members: :member-order: .. autoclass:: revscoring.scorer_models.nb.BernoulliNB :members: :member-order: """ import logging from sklearn import naive_bay...
eranroz/revscoring
revscoring/scorer_models/nb.py
Python
mit
3,031
[ "Gaussian" ]
9e147570030a84e608450d08005146c9ad9c6fd5aa2e6fd6a7ce52b7c1a27896
# This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your option) any later version. # # This program is distributed in ...
Charley-fan/metaArray
misc.py
Python
gpl-3.0
43,576
[ "Gaussian" ]
13ea45bec5db9063ce6306b4b7cdcae449fe705a768ee397cdab152f755b6242
from player import Player import inputcontroller import outputcontroller from mapgenerator import MapGenerator from itemgenerator import ItemGenerator from dungeon import Map import monstergenerator import battle class Game: def __init__(self): self._maps = [] self._player = Player("") se...
V3n0M93/Rogue-like-like
src/game.py
Python
gpl-2.0
4,793
[ "VisIt" ]
80bceb03fa7d0569064f6cf98872ee1d98ab694ae101b2ba7c56c041c6d2554e
#!/usr/bin/env python """ Artificial Intelligence for Humans Volume 1: Fundamental Algorithms Python Version http://www.aifh.org http://www.jeffheaton.com Code repository: https://github.com/jeffheaton/aifh Copyright 2013 by Jeff Heaton Licensed under the Apache License, Version 2...
PeterLauris/aifh
vol1/python-examples/examples/example_distance.py
Python
apache-2.0
2,517
[ "VisIt" ]
75e679dbd07a6abb6b77add16c9f57d63b63f98cf046911d0c245fae32adf876
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module define a WulffShape class to generate the Wulff shape from a lattice, a list of indices and their corresponding surface energies, and the total area and volume of the wulff shape,the weighted surface energy, th...
materialsproject/pymatgen
pymatgen/analysis/wulff.py
Python
mit
27,721
[ "pymatgen" ]
848f21a4a416b7d3e11300f8e2555d3d99acc4117ff1742a273e696aa7f17958
import os import copy import pytest import logging from moult import log from moult.utils import installed_packages from py._path.local import LocalPath log.set_level(logging.DEBUG) class ScriptData(object): def __init__(self, tmpdir): self.tmpdir = tmpdir self.tmpdata = None self.pri...
tweekmonster/moult
tests/conftest.py
Python
mit
2,513
[ "VisIt" ]
53a07db94d36ccb8d4126fd3553da67cf10181c29dbdf2a7c89fa951dc469f48
#!/usr/bin/env python # -*- coding: utf8 -*- # ***************************************************************** # ** PTS -- Python Toolkit for working with SKIRT ** # ** © Astronomical Observatory, Ghent University ** # ***************************************************************** ##...
SKIRT/PTS
core/prep/creator.py
Python
agpl-3.0
18,018
[ "Galaxy" ]
998bb26ab4092201d4d65d5e7dee5597be58b5da2ce25f06a39aa771763f837c
import gzip import itertools import os import re import subprocess import sys import tempfile import zipfile from collections import namedtuple import numpy as np from openbabel import pybel from openbabel.pybel import Atom from plip.basic import config, logger logger = logger.get_logger() def tmpfile(prefix, direc...
pharmai/plip
plip/basic/supplemental.py
Python
gpl-2.0
15,220
[ "PyMOL", "Pybel" ]
4864454c878e10d31413b60da2c5727a2e6a2cb3d7a31cce765d2dcc9425e692
#!/usr/bin/env python """Automatically install required tools and data to run bcbio-nextgen pipelines. This automates the steps required for installation and setup to make it easier to get started with bcbio-nextgen. The defaults provide data files for human variant calling. Requires: git, Python 3.x, Python 2.7 or a...
lpantano/bcbio-nextgen
scripts/bcbio_nextgen_install.py
Python
mit
13,032
[ "BWA", "Bioconda", "Biopython", "Bowtie", "Galaxy", "pysam" ]
3fd25d4c4af3e3703994247d7a7db823962e79098820ee9a81827c55ed7c70b6
# -*- coding: utf-8 -*- { ' iw-12: Werkdruck / 090 gr / 1,30 Volumen': ' iw-12: Werkdruck / 090 gr / 1,30 Volumen', ' iw-12: Werkdruck / 090 gr / 1,30 Volumen ': ' iw-12: Werkdruck / 090 gr / 1,30 Volumen ', ' iw-13: Matt MC / 115 gr / 0,93 Volumen ': ' iw-13: Matt MC / 115 gr / 0,93 Volumen ', ' iw-2: ...
UB-Heidelberg/UBHD-OMPArthistorikum
languages/nl.py
Python
gpl-3.0
26,740
[ "Elk" ]
0d0f36e452814f10b62c1baf85c683c8e7ae04494db7a8f3c3a5aa6dd706a717
import unittest import numpy as np import pysal from pysal.spreg.ols import OLS from pysal.spreg.ols_regimes import OLS_Regimes PEGP = pysal.examples.get_path class TestOLS_regimes(unittest.TestCase): def setUp(self): db = pysal.open(pysal.examples.get_path('columbus.dbf'),'r') self.y_var = 'CRIME...
darribas/pysal
pysal/spreg/tests/test_ols_regimes.py
Python
bsd-3-clause
7,672
[ "COLUMBUS" ]
8465236dd97cd43b882d0273eb17dade96eaaf7a44281e442d117448d78de84a
"""Base module for all operators that create offspring.""" import numpy as np from random import random from ase import Atoms from ase.ga.atoms_attach import enable_raw_score_methods class OffspringCreator(object): """Base class for all procreation operators Parameters: verbose: Be verbose and print so...
suttond/MODOI
ase/ga/offspring_creator.py
Python
lgpl-3.0
2,819
[ "ASE" ]
a3667c7afce039c402d0b98df895d35530baf6d0857768474cf9834ef896d722
# # libtcod 1.6.0 python wrapper # Copyright (c) 2008,2009,2010,2012,2013 Jice & Mingos # 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...
nerdyLawman/pyhack
src/libtcodpy.py
Python
gpl-3.0
61,315
[ "Amber" ]
4feb2dd982f10cfa1cb68ae339a03d5370d904c05e10b8d2e1c72635367dc5b0
"""Functions to simulate scans and maps.""" import numpy as np import numpy.random as ra import os from astropy.io import fits from astropy.table import Table, vstack import astropy.units as u from collections.abc import Iterable from .io import mkdir_p, locations from .utils import tqdm, jit from astropy.coordinate...
matteobachetti/srt-single-dish-tools
srttools/simulate.py
Python
bsd-3-clause
31,364
[ "Gaussian" ]
c3de87876c818f664bf147e5efb136c2d1e2c9257b7b54891492e423a419e080
#!/usr/bin/env python # # Appcelerator Titanium Module Packager # # import os, subprocess, sys, glob, string import zipfile from datetime import date cwd = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) os.chdir(cwd) required_module_keys = ['name','version','moduleid','description','copyright','...
dezinezync/TiStoreView
build.py
Python
mit
6,787
[ "VisIt" ]
103c755cb290d16b2f88cc774d00f4d112cab8020a2fa16709af843a430fcaed
#!/usr/bin/env python """ Calculate the radial distribution function (RDF) from files. It takes statistical averaging over atoms in a file and over files. Usage: rdf.py [options] INFILE [INFILE...] Options: -h, --help Show this help message and exit. -d DR Width of the bin. [default: 0.1] -r,--rmax RMA...
ryokbys/nap
nappy/rdf.py
Python
mit
23,439
[ "Gaussian" ]
9fe0c5247888468614a9cfb2955469489136fe751d5a85b4786f7797ba2a54dc
""" """ import os from tempfile import tempdir from pulsar.manager_factory import build_managers from pulsar.cache import Cache from pulsar.tools import ToolBox from pulsar.tools.authorization import get_authorizer from pulsar import messaging from galaxy.objectstore import build_object_store_from_config from galaxy.t...
natefoo/pulsar
pulsar/core.py
Python
apache-2.0
6,319
[ "Galaxy" ]
85063d6bc5b87d54cd7421ef8702f46a0469d4381636be4792806b1dc6831f5e
#=============================================================================== # 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/cache/filecache.py
Python
gpl-2.0
6,904
[ "VisIt" ]
1a30a424483ffd0f95538f2fd47bbbcae34f1bd6d4738571a47d49521918fd04
#pylint: disable=missing-docstring #* 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/...
nuclear-wizard/moose
python/chigger/geometric/GeometricSourceMeta.py
Python
lgpl-2.1
1,889
[ "MOOSE", "VTK" ]
7c27a6a8ca20bb54b25d97597608b011187cb47df4c45bd07a252ef9ab8eaeba
#!/usr/bin/env python # # Copyright (C) 2013-2017(H) # Max Planck Institute for Polymer Research # # 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 License as published by # the Free Software Foundation, ei...
espressopp/espressopp
testsuite/AdResS/TDforce/test_TDforce.py
Python
gpl-3.0
16,457
[ "ESPResSo" ]
50f937de53d6ee67f4431cf65e8ff3e7670186a3afc5a0fd8dc7e9600be67ff4
""" A collection of assorted utility functions. """ from builtins import range from collections import Counter import importlib import json import warnings from itertools import product, combinations import numpy from scipy.spatial.distance import cdist from scipy.special import expit import scipy.stats from .consta...
crcollins/molml
molml/utils.py
Python
mit
26,163
[ "CRYSTAL" ]
de66c16244eb1161f4830fc46735a86165f37583ee924bc00dc4570ca23e96bf
""" MultiVolumeVisualization :Authors: Berend Klein Haneveld """ from PySide.QtCore import QObject from PySide.QtCore import Signal from vtk import vtkColorTransferFunction from vtk import vtkPiecewiseFunction # Define render types for multi render MultiVisualizationTypeMix = "Default mix" MultiVisualizationTypeMIP ...
berendkleinhaneveld/Registrationshop
ui/visualizations/MultiVolumeVisualization.py
Python
mit
2,648
[ "VTK" ]
707635d7bd1d7e5a94bd65d9d3321644eb7dc66703cf16b5d93ed57a7de57183
import pymbar import blib import pymc import numpy as np import pandas as pd import simtk.openmm.app as app import simtk.openmm as mm import simtk.unit as u import mdtraj as md mass = 12.01078 * u.daltons + 4 * 35.4532 * u.daltons sigma = pymc.Uniform("sigma", 0.53, 0.57, value=0.545) epsilon = pymc.Uniform("epsilon"...
kyleabeauchamp/DBayes
dbayes/test_pymc_2values.py
Python
gpl-2.0
1,834
[ "MDTraj", "OpenMM" ]
035b4e6e290301b47028fcb8f4cf103b9c862d366199cda1e83a65ac141d76a9
""" ============================== Probability Calibration curves ============================== When performing classification one often wants to predict not only the class label, but also the associated probability. This probability gives some kind of confidence on the prediction. This example demonstrates how to di...
jjx02230808/project0223
examples/calibration/plot_calibration_curve.py
Python
bsd-3-clause
5,902
[ "Gaussian" ]
97f827d4cba26a271eafe5b44dff69549d26b659aa960ed7bb0cefa0a02c2d70
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2006-2011 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program is free software; you can redistribute it and/or modify ## it under the terms of the GNU Lesser General Public License as published by ## the Free Softw...
andrebellafronte/stoq
stoq/gui/config.py
Python
gpl-2.0
37,495
[ "VisIt" ]
138814c4b377344e09a4e5052ea3b9b41b043c23ec590cb0af939e9b73a4e4fc
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under t...
alejob/mdanalysis
package/MDAnalysis/lib/mdamath.py
Python
gpl-2.0
13,812
[ "Gromacs", "MDAnalysis" ]
7673f5e7cd04e8c2c86785e4aa49b0a5eec2a234706a22b4206da9ec1b4eccb0
# -*- coding: utf-8 -*- import collections import datetime import hashlib import json import os import stat import tarfile from copy import deepcopy from tempfile import mkdtemp from django.conf import settings from django.core import mail from django.core.files.storage import default_storage as storage from django.co...
ngokevin/zamboni
mkt/webapps/tests/test_tasks.py
Python
bsd-3-clause
31,914
[ "exciting" ]
163f5a65e76148cbc9ccda3e2371cb705f7c809d3862b7ea9de3192374ab20e1
#!/usr/bin/env python """Adaoted from the "wall" demo client for Open Pixel Control http://github.com/zestyping/openpixelcontrol Creates a shifting rainbow plaid pattern by overlaying different sine waves in the red, green, and blue channels. To run: First start the gl simulator using the included "wall" layout ...
TheGentlemanOctopus/thegentlemanoctopus
octopus_code/core/octopus/patterns/rainbowPlaidEqPattern.py
Python
gpl-3.0
2,810
[ "Octopus" ]
4fae8a0d96e5f52420461a2209159dbb7449789f18cec0de2c4cf58ab8a98834
#!/usr/bin/python # -*- coding: utf-8 -*- from distutils.core import setup setup( name='ASE-QE', version='0.1.1', author='Paweł T. Jochym', author_email='pawel.jochym@ifj.edu.pl', packages=['ase-qe', 'ase-qe.test'], scripts=[], url='http://pypi.python.org/pypi/ASE-QE/', license='LICENS...
jochym/ase-qe
setup.py
Python
gpl-3.0
541
[ "ASE", "ESPResSo" ]
97544dfe05ff65c34021d39d7c71615820c5599329f1582cc5905064b0727ba0
#################################################################################################### # neuropythy/optimize/__init__.py # Initialization code for neuropythy's optimization module. # By Noah C. Benson from .core import (fapply, finto, PotentialFunction, is_potential, to_potential, ...
noahbenson/neuropythy
neuropythy/optimize/__init__.py
Python
agpl-3.0
759
[ "Gaussian" ]
2a17f6c62a6235ed3e189710034fc293bb7e81a9c5216fa6c7a441a3b0ff36c7
# -*- coding: utf-8 -*- """ ast ~~~ The `ast` module helps Python applications to process trees of the Python abstract syntax grammar. The abstract syntax itself might change with each Python release; this module helps to find out programmatically what the current grammar looks like and allows...
MalloyPower/parsing-python
front-end/testsuite-python-lib/Python-3.0/Lib/ast.py
Python
mit
11,340
[ "VisIt" ]
88c089e134625809311a529f0286f2bb35403d85046ddac1a0cbb99f989764db
"""Ops and optimizations for using BLAS calls BLAS = Basic Linear Algebra Subroutines Learn more about BLAS here: http://www.netlib.org/blas/blast-forum/ The standard BLAS libraries implement what is called "legacy BLAS" in that document. This documentation describes Theano's BLAS optimization pipeline. Where th...
marcsans/cnn-physics-perception
phy/lib/python2.7/site-packages/theano/tensor/blas.py
Python
mit
92,331
[ "BLAST" ]
db0b3bdc440bbc00b072e87d1c95fdad9cd8bdbdcca6721813452bd8b1fa6963
import mimetypes print(mimetypes.guess_type('test.jpg')) # ('image/jpeg', None) print(type(mimetypes.guess_type('test.jpg'))) # <class 'tuple'> print(mimetypes.guess_type('test.jpg')[0]) # image/jpeg print(type(mimetypes.guess_type('test.jpg')[0])) # <class 'str'> print(mimetypes.guess_type('test.tar.gz')) # ('app...
nkmk/python-snippets
notebook/mimetypes_test.py
Python
mit
40,568
[ "NetCDF" ]
fda7b6a11a4cdee5ac2eda6e3ef6837b39caccff413e05a55d60dfbeeec1a36f
from __future__ import division import numpy as np from nose.plugins.attrib import attr import pybasicbayes.distributions as distributions from pybasicbayes.testing.mixins import BigDataGibbsTester, MaxLikelihoodTester, \ GewekeGibbsTester, BasicTester @attr('regression') class TestRegression( BasicTest...
mattjj/pybasicbayes
tests/test_regression.py
Python
mit
3,403
[ "Gaussian" ]
86a85c16b32c59508f6b244e9c39ea6368b32f83ab0dde0662fc7e654fef864f
#!/usr/bin/python import httplib2 import os import sys from apiclient.discovery import build from oauth2client.file import Storage from oauth2client.client import flow_from_clientsecrets from oauth2client.tools import run # CLIENT_SECRETS_FILE, name of a file containing the OAuth 2.0 information for # this applicat...
lhongskie/yt-samples-python
my_uploads.py
Python
apache-2.0
3,001
[ "VisIt" ]
cba897111aa0f0f332889323c0c827fc0206a57128c77f4e4bce84733e10c9a3
#!/usr/bin/env python __author__ = "Vivek <vivek.balasubramanian@rutgers.edu>" __copyright__ = "Copyright 2014, http://radical.rutgers.edu" __license__ = "MIT" __use_case_name__ = "'Amber + CoCo' simulation-analysis proof-of-concept (ExTASY)." from radical.ensemblemd import Kernel from radical.ensem...
radical-cybertools/ExTASY
examples/coam-on-stampede/extasy_amber_coco.py
Python
mit
9,260
[ "Amber" ]
0dbc8eac18a744e43917394fc6cffda32be0f2bd6e7c0a62b9bf65657a01ccad
# $HeadURL$ import os import time from DIRAC import gConfig, S_OK, S_ERROR, gLogger from DIRAC.Core.Utilities import List from DIRAC.Core.Utilities.Subprocess import pythonCall from DIRAC.Core.Utilities.ThreadPool ...
myco/VMDIRAC
WorkloadManagementSystem/private/OutputDataExecutor.py
Python
gpl-3.0
11,568
[ "DIRAC" ]
2566716b63cdcaf6a4ba8907008aedd07ab4e729a6fca6de416ceba31583e3f6
# This file is part of pyfesom # ################################################################################ # # Original code by Dmitry Sidorenko, 2013 # # Modifications: # Nikolay Koldunov, 2016 # - optimisation of reading ASCII fies (add pandas dependency) # - move loading and processing of ...
FESOM/pyfesom
pyfesom/load_mesh_data.py
Python
mit
20,823
[ "NetCDF" ]
e916efd7aba7c6353f2f736cf9f7be4796cc11190306a7e22181723d46282324
######################################################################## # Author: Stuart Paterson # eMail : Stuart.Paterson@cern.ch ######################################################################## """ The Watchdog class is used by the Job Wrapper to resolve and monitor the system CPU and memory consumed...
vmendez/DIRAC
WorkloadManagementSystem/JobWrapper/WatchdogLinux.py
Python
gpl-3.0
4,029
[ "DIRAC" ]
1557393ecc8b34cb58367567ee6bd50cbd0dcab976d32397f35c17eb55def3b9
#!/usr/bin/python # -*- coding: utf-8 -*- # Copyright (C) 2018 David Arroyo Menéndez # Author: David Arroyo Menéndez <davidam@gnu.org> # Maintainer: David Arroyo Menéndez <davidam@gnu.org> # This file is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as p...
davidam/python-examples
numpy/gmm.py
Python
gpl-3.0
3,134
[ "Gaussian" ]
394a1dd43c200169d3075239bcc31fff0fe4cc4f92f4ad642a53d327acb04427
""" Physical units and dimensions. The base class is Unit, where all here defined units (~200) inherit from. """ from sympy import Rational, pi from sympy.core import AtomicExpr class Unit(AtomicExpr): """ Base class for all physical units. Create own units like: m = Unit("meter", "m") """ i...
Cuuuurzel/KiPyCalc
sympy_old/physics/units.py
Python
mit
5,275
[ "Avogadro" ]
6059323bfb01aaa6cbbd7d51a0be12f57041e04feb45a251db4c35d012bde355
# piddlePIL.py -- a Python Imaging Library backend for PIDDLE # Copyright (C) 1999 Joseph J. Strout # # 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, o...
rdkit/rdkit
rdkit/sping/PIL/pidPIL.py
Python
bsd-3-clause
15,697
[ "RDKit" ]
ab7c37535a1f1c1d9e7e73726693a1b778add0feecf5d6994f6c822a89ca02a7
# -*- coding: utf-8 -*- # HORTON: Helpful Open-source Research TOol for N-fermion systems. # Copyright (C) 2011-2017 The HORTON Development Team # # This file is part of HORTON. # # HORTON is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License # as published by th...
theochem/horton
horton/io/test/test_cp2k.py
Python
gpl-3.0
8,623
[ "CP2K" ]
58ec1ad4d2cff7e5901bc6d8d9c9c647cce27c4588fbc76919a3f5a8d209006e
#!/usr/bin/env python import httplib,requests from bs4 import BeautifulSoup from pprint import pprint,pformat from random import randrange from optparse import OptionParser, OptionGroup import sys, re def process_opts(): usage = """ Put text into a format yospos can read. usage %prog test """ par...
ursineasylum/yospos
sparklee.py
Python
mit
14,209
[ "BLAST", "CRYSTAL", "Galaxy" ]
a1423e37d5ccd76ef513aee87353e8b95b3d2662544ae8a17cfe70fe0bfc562a
import warnings warnings.warn("pymatgen.serializers.pickle_coders has been moved to " "pymatgen.util.serialization. This stub will be removed in pmg " "2018.01.01.") from pymatgen.util.serialization import *
matk86/pymatgen
pymatgen/serializers/pickle_coders.py
Python
mit
238
[ "pymatgen" ]
a300b4cd249996e6996ae0daa2204f0b7a98170f7472da905bc5c93bcc4234ee
from __future__ import print_function ### READING FILES file_name = 'data.txt' # Reading in and parsing file contents data_list = [] with open(file_name) as f: # SKip the header (the first line) next(f) for line in f: # Remove newline char line = line.replace('\n', ...
dvida/UWO-PA-Python-Course
Lecture 3/L3_lecture.py
Python
mit
5,075
[ "Gaussian" ]
511134fb33b06ad75e77488c4c0511c60523f8a33259705ba23bb994d76a3dd1
#!/usr/bin/env python import argparse import glob import pysam """ improved algorithm for comparing two variants: if different chromosome? different variant if position of two variants is more than 300 bp apart? different variant if: restore the common sequence between the two variants (e.g. ...
BD2KGenomics/brca-website
python_scripts/overlap_string_comparison.py
Python
apache-2.0
7,248
[ "pysam" ]
a18f7bf3df5d9b85cbc2bb97c82c337ffec3ee1f99ea0cef12f1a509c0fe8c7d
""" Numerical python functions written for compatability with matlab(TM) commands with the same names. Matlab(TM) compatible functions ------------------------------- :func:`cohere` Coherence (normalized cross spectral density) :func:`csd` Cross spectral density uing Welch's average periodogram :func:`detrend`...
tkaitchuck/nupic
external/linux64/lib/python2.6/site-packages/matplotlib/mlab.py
Python
gpl-3.0
104,273
[ "Gaussian" ]
11954ad76b57a5fe9d3156737260141b26a8408a5c2e94790ef544375c0e8a50
# 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 objects to model high scoring regions between query and hit.""" from __fu...
zjuchenyuan/BioWeb
Lib/Bio/SearchIO/_model/hsp.py
Python
mit
45,621
[ "BLAST", "Biopython" ]
e1005a64f75d4b6d78e30aa01d9d9ac12dc0a318c051851c3fe41a753f1bdfc8
# Compacted basis set labels as strings for GUI # Author: Evgeny Blokhin import six # hierarchy API: __order__ to apply classifier __order__ = 5 def classify(tilde_obj): if not tilde_obj.electrons['basis_set'] or tilde_obj.info['ansatz'] == 0x1: return tilde_obj if tilde_obj.info['ansatz'] == 0x2:...
tilde-lab/tilde
tilde/classifiers/basisset.py
Python
mit
2,385
[ "CRYSTAL", "Gaussian" ]
5637117ba8f9146f5b497d97ebb25830e50346118964ecb6dcca5c4e4f0aa797
""" Implementation of a function to read NetCDF files from Integrated Marine Observing System (IMOS) """ import xarray as xr from ..waterframe import WaterFrame def read_nc_imos(path, clean_data=True): """ Open a NetCDF file from Integrated Marine Observing System (IMOS). All QC flags are 0. P...
rbardaji/oceanobs
mooda/input/read_nc_imos.py
Python
mit
1,997
[ "NetCDF" ]
3cb6c43534519371d081f9745e0d096c4fff5547f0e6e8aef8c00bd831732d19
import base64 import re import os import sys import urllib.request, urllib.parse, urllib.error PY3 = sys.version_info[0] == 3 if PY3: from io import StringIO str = str else: from io import StringIO try: import json except ImportError: import simplejson as json from .rest import ErrorResponse,...
ArcherSys/ArcherSys
Lib/site-packages/dropbox/client.py
Python
mit
67,600
[ "VisIt" ]
e21a0fd4bb26267911b3b2343d360075d99546a37e93bb69feb2c56d02e25fab
#! /usr/bin/python # remove_long_name.py # Checks fasta file for the long name in the lines starting with ">" (i.e. > read_short_name read_long name) and deletes the long name. Some tools (such as bwa) do not like the long name having white spaces, which will lead to a messed up sam file. # Usage: ./remove_long_name...
schimar/hts_tools
remove_long_name.py
Python
gpl-2.0
1,155
[ "BWA" ]
628d13025457d97ce27fffceb3cd77f14ff029d35461655b3b909f190a7ff39b
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals import os import random import unittest import json import six from monty.os.path import which from pymatgen import Lattice, PeriodicSite from monty.json impor...
xhqu1981/pymatgen
pymatgen/transformations/tests/test_standard_transformations.py
Python
mit
19,196
[ "VASP", "pymatgen" ]
16b981e28dac30d8f5e1991bd40cb807c4216e133fca5f51cac6282cdd735572
#!/usr/bin/python #============================================================================================= # MODULE DOCSTRING #============================================================================================= """ Tools for constructing OpenMM System objects from various convenient input file formats...
jchodera/yank
Yank/systembuilder.py
Python
lgpl-3.0
45,075
[ "MDTraj", "OpenMM" ]
71546c97e4710146a61a7dfab2ace9aa001272637c68e2c6185f0b1ae7ebf6f9
# Orca # # Copyright 2004-2008 Sun Microsystems Inc. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This...
Alberto-Beralix/Beralix
i386-squashfs-root/usr/share/pyshared/orca/orca_prefs.py
Python
gpl-3.0
30,374
[ "ORCA" ]
f1b1f604d33f596f8259e0820d8a78c39100bada0a246cd5320282631d93c93a
######################################################################## # # (C) 2015, Brian Coca <bcoca@ansible.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...
danieljaouen/ansible
lib/ansible/galaxy/role.py
Python
gpl-3.0
15,345
[ "Brian", "Galaxy" ]
3399f65736e7acefb34162f3fe3983261445b90a7dcd88ae97f5e592dc3aa686
import unittest import numpy as np import pysal.lib import pysal.model.spreg as EC from scipy import sparse from pysal.lib.common import RTOL PEGP = pysal.lib.examples.get_path class TestBaseOLS(unittest.TestCase): def setUp(self): db = pysal.lib.io.open(PEGP('columbus.dbf'),'r') y = np.array(db.b...
lixun910/pysal
pysal/model/spreg/tests/test_ols_sparse.py
Python
bsd-3-clause
4,989
[ "COLUMBUS" ]
dceadd8ec324054ac0774e5373826b604baf9acf38f816dab2211a87ef4bb6f2
# -*- coding: utf-8 -*- # (c) Nelen & Schuurmans. GPL licensed, see LICENSE.rst. import datetime import re import pathlib # directories PACKAGE_DIR = pathlib.Path(__file__).parent.parent SOURCE_DIR = PACKAGE_DIR / "var" / "source" LOG_DIR = PACKAGE_DIR / "var" / "log" # make sure they exist - there must be a bette...
nens/openradar
openradar/config.py
Python
gpl-3.0
4,533
[ "ASE" ]
f44cba2dc04d85b3e41ecc716f94f75457412e85784dab4da3472689f490767b
# coding: utf-8 # # Copyright 2012 NAMD-EMAP-FGV # # This file is part of PyPLN. You can get more information at: http://pypln.org/. # # PyPLN 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 o...
NAMD/pypln.backend
pypln/backend/workers/pos/__init__.py
Python
gpl-3.0
1,840
[ "NAMD" ]
bda78f1a1fe86dbb9e79f4ef9df32f25bb39f38a5c9855cd960b3dd0d0a3c8c2
from django import forms from django.forms.util import ErrorList from edc_constants.constants import NO, YES from ..models import MaternalSrh from .base_maternal_model_form import BaseMaternalModelForm class MaternalSrhForm(BaseMaternalModelForm): class Meta: model = MaternalSrh fields = '__al...
botswana-harvard/microbiome
microbiome/apps/mb_maternal/forms/maternal_srh_form.py
Python
gpl-2.0
3,445
[ "VisIt" ]
aa10e479c3b66bc4c3cc13c75ff3c537cb3b04dd26603fff9e504bcf755a5ec9
#!/usr/bin/env python import unittest import os import numpy as np import dynaphopy.interface.iofile as io import dynaphopy from dynaphopy.interface.phonopy_link import get_force_constants_from_file class TestDynaphopy(unittest.TestCase): def setUp(self): import phonopy print ('Using phonopy {}'....
abelcarreras/DynaPhoPy
unittest/Si_test.py
Python
mit
3,738
[ "phonopy" ]
615e96b8291d140fbd1fd984525bb14ba79a05ea914f3b2a1da67a135df89215
#!/usr/bin/env python """ This is a script for quick Mayavi-based visualizations of finite element computations results. Examples -------- The examples assume that run_tests.py has been run successfully and the resulting data files are present. - view data in output-tests/test_navier_stokes.vtk $ python po...
RexFuzzle/sfepy
postproc.py
Python
bsd-3-clause
19,662
[ "Mayavi", "VTK" ]
e8f00e3e2999e31d55785b2c9eeb25bc11ee8b94b4d42ff72b5c2265a8e8782d
""" DIRAC JobDB class is a front-end to the main WMS database containing job definitions and status information. It is used in most of the WMS components The following methods are provided for public usage: getJobAttribute() getJobAttributes() getAllJobAttributes() getDistinctJobAttributes...
coberger/DIRAC
WorkloadManagementSystem/DB/JobDB.py
Python
gpl-3.0
85,525
[ "DIRAC" ]
93871952ddee5ba2cbde97e0fe86576b4c54b09198360fdd10fbe0e9a564b0e3
# -*- coding: utf-8 -*- from datetime import date from workalendar.tests import GenericCalendarTest from workalendar.canada import Canada, Ontario, Quebec, BritishColumbia from workalendar.canada import Alberta, Saskatchewan, Manitoba, NewBrunswick from workalendar.canada import NovaScotia, PrinceEdwardIsland, Newfound...
sayoun/workalendar
workalendar/tests/test_canada.py
Python
mit
15,258
[ "Desmond" ]
004cba9812bfb165ef7ed2942363e0668ae8a21d6eb7c5b598897f746e199804
# -*- coding: utf-8 -*- # # Copyright (c) 2019, the cclib development team # # This file is part of cclib (http://cclib.github.io) and is distributed under # the terms of the BSD 3-Clause License. """Test single point logfiles in cclib.""" import datetime import os import unittest import numpy import p...
cclib/cclib
test/data/testSP.py
Python
bsd-3-clause
24,236
[ "ADF", "Dalton", "GAMESS", "Gaussian", "Jaguar", "MOLCAS", "Molpro", "NWChem", "ORCA", "Psi4", "TURBOMOLE", "cclib" ]
6238f0de83d842e1998e26d3fed6d9e022bafdf99d3716cd0389d456152d8d2d
# -*- coding: utf-8 -*- """ Support for calculating D spacing for powder diffraction lines as as function of pressure and temperature, given symmetry, zero-pressure lattice constants and equation of state parameters. Author: Mark Rivers Created: Sept. 10, 2002 from older IDL version Modifications: Sept. 26,...
erangre/Dioptas
dioptas/model/util/jcpds.py
Python
gpl-3.0
36,565
[ "CRYSTAL" ]
51a02772334dd87ca4752282fb5f983b3c6ef549efb2c57ab93dafaa53bf60fb
# 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 'Indicator.last_modified_at' db.add_column(u'profiles_indicator', 'last_modified_at', self....
216software/Profiles
communityprofiles/profiles/oldmigrations/0087_auto__add_field_indicator_last_modified_at.py
Python
mit
26,523
[ "MOE" ]
07706899c37826fc6dc08c8f924a7fc0189059bb17982ecee41b7326bad80193
#!/usr/bin/env python # # Appcelerator Titanium Module Packager # # import os, subprocess, sys, glob, string import zipfile from datetime import date cwd = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) os.chdir(cwd) required_module_keys = ['name','version','moduleid','description','copyright','...
trd-paolo/TiGrowingTextField
build.py
Python
apache-2.0
6,860
[ "VisIt" ]
a8cb1e1db0b87b9b78f6d52af7dd97007305ce932cae08467469fe34250633db
"""Runs the Raykar et al. (2010) algorithm on the galaxy classification task. Matthew Alger The Australian National University 2016 """ import argparse import logging import time import h5py import matplotlib import matplotlib.pyplot as plt import numpy import sklearn import sklearn.decomposition import sklearn.metr...
chengsoonong/crowdastro
crowdastro/experiment/experiment_rgz_raykar.py
Python
mit
9,572
[ "Galaxy" ]
6e5ef9783e58a91210fde29c19ac6da032d5abd7653de02f52e1e5f00638c0df
## ENVISIoN ## ## Copyright (c) 2021 Gabriel Anderberg, Didrik Axén, Adam Engman, ## Kristoffer Gubberud Maras, Joakim Stenborg ## All rights reserved. ## ## Redistribution and use in source and binary forms, with or without ## modification, are permitted provided that the following conditions are met: ## ## 1. ...
rartino/ENVISIoN
envisionpy/hdf5parser/ELK/force_parser_elk.py
Python
bsd-2-clause
6,351
[ "Elk" ]
6d569585a8c9f957f81981a509ebe53cfe7a7a314f1c8f1898305a757a9b9e4b
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkElevationFilter(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vt...
nagyistoce/devide
modules/vtk_basic/vtkElevationFilter.py
Python
bsd-3-clause
489
[ "VTK" ]
97faa2d8e3c157713d4e024be1b87b727bdfa169dcccf8d56408b4334744d3a9
'''Body Composition is a Slicer module that allows to segment different parts of the lungs in a manual or semi-automatic basis with the help of a customized Slicer Editor. It also performs a set of operations to analyze the different structures of the volume based on its label map, like Area, Mean, Std.Dev., etc. First...
acil-bwh/SlicerCIP
Scripted/CIP_BodyComposition/CIP_BodyComposition.py
Python
bsd-3-clause
83,135
[ "VTK" ]
73a4be06fa3439efa3ae974b64078d723cec8e5bb755a0023c3d3629a6ff1248
''' SASSIE: Copyright (C) 2011 Joseph E. Curtis, Ph.D. 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 3 of the License, or (at your option) any later version. ...
madscatt/zazzie
src_2.7/sassie/simulate/energy_minimization/write_namd_input.py
Python
gpl-3.0
5,081
[ "NAMD" ]
de2b719579721eb6d39ee2a6ce1f5fa7dc9594f8a0c9bdead6ab786fd333cb0a
from sys import exit from sys import path as syspath from bisect import bisect_left from os import path from argparse import ArgumentParser as parser from ConfigParser import ConfigParser import time import numpy as np import numpy.random as nprand from scipy import integrate from scipy.optimize import brentq from sn...
ruggiero/wubclus
clustep/clustep.py
Python
gpl-2.0
10,500
[ "Galaxy" ]
48aa013bba6e8ea4eec74dcc29ed5e7ed0d0ee3a6431c484e294f77b5a1ead5e
''' Theme layer template. New Section =========== Additional information goes here. @warning: THIS IS A TEMPLATE SHOWING THE BASIC STRUCTURE OF A THEME_LAYER SCRIPT! DO NOT OVERWRITE! ALWAYS USE "SAVE AS..."! @todo: point one @todo: point two @author: kmu @since: 6. sep. 2010 ''' # Built-i...
kmunve/pysenorge
pysenorge/themes/theme_layer_template.py
Python
gpl-3.0
1,999
[ "NetCDF" ]
f6f735051b68a2f686927b89ff6e0df6c7948e3e298ab55efb509f73e7677540
# LIBTBX_PRE_DISPATCHER_INCLUDE_SH export PHENIX_GUI_ENVIRONMENT=1 # DIALS_ENABLE_COMMAND_LINE_COMPLETION from __future__ import annotations import copy import sys import wx import gltbx import gltbx.gl as gl import libtbx.phil import wxtbx.utils from dxtbx.model import MultiAxisGoniometer from scitbx.array_family ...
dials/dials
command_line/geometry_viewer.py
Python
bsd-3-clause
24,262
[ "CRYSTAL" ]
e051de187338aa7e758725abdce7d4f2b2e3b983277c65b81f82ab945f498803
# -*- coding: utf-8 -*- """ Created on Mon Mar 7 14:38:46 2011 Plot pca test error vs train error @author: - """ # Computes the gaussian gradients on a boxm_alpha_scene import os; import optparse; import time; import sys; import numpy as np import matplotlib.pyplot as plt import matplotlib.cm as cmt import glob #P...
mirestrepo/voxels-at-lems
dbrec3d/bof/general/classify/collect_classification_results.py
Python
bsd-2-clause
2,653
[ "Gaussian" ]
0cce4eccafae50b156009235b16c32fd2771bdb1d9719fb2c25531d57b1da146