text
stringlengths
12
1.05M
repo_name
stringlengths
5
86
path
stringlengths
4
191
language
stringclasses
1 value
license
stringclasses
15 values
size
int32
12
1.05M
keyword
listlengths
1
23
text_hash
stringlengths
64
64
#!/usr/bin/python #Copyright (C) 2020- The University of Notre Dame #This software is distributed under the GNU General Public License. #See the file COPYING for details. import os import sys import json from work_queue_server import WorkQueueServer from time import time from create_splits import create_splits tasks...
nkremerh/cctools
apps/wq_bwa_json/wq_bwa_json.py
Python
gpl-2.0
2,791
[ "BWA" ]
a602e3708cf86b43bbf2061a9b272113587c9d701ca8b489bad5b225d904f4d8
# -*- coding: utf-8 -*- """ End-to-end tests for the LMS. """ from datetime import datetime, timedelta from flaky import flaky from textwrap import dedent from unittest import skip from nose.plugins.attrib import attr import pytz import urllib from bok_choy.promise import EmptyPromise from common.test.acceptance.tests...
louyihua/edx-platform
common/test/acceptance/tests/lms/test_lms.py
Python
agpl-3.0
53,429
[ "VisIt" ]
0f6f1387cf64ee82428aa61d04f3c9dcf1ddd17f3314f144d16d5200a144ec92
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=120 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # ------------------------------------------------------...
marmyshev/bug_1117098
openlp/plugins/custom/forms/__init__.py
Python
gpl-2.0
2,106
[ "Brian" ]
45003622b1fbe54a5e2b898389f4fcb7af8443d4f1697a178a78b93dd7920526
from fem import DofHandler, Basis, QuadFE from gmrf import GaussianField, Covariance from assembler import Form, Assembler from mesh import Mesh1D, QuadMesh from plot import Plot from function import Nodal import numpy as np from scipy import sparse as sp import matplotlib.pyplot as plt """ Goal: Investigate opt...
hvanwyk/quadmesh
experiments/multiscale_gmrf/ex04/ex04.py
Python
mit
13,614
[ "Gaussian" ]
f50515a4eec68ce14b0c58fce2d1e42a69745d7629792e47fe9d03a70d9a6a21
"""The Mayavi Envisage application. """ # Author: Prabhu Ramachandran <prabhu_r@users.sf.net> # Copyright (c) 2008, Enthought, Inc. # License: BSD Style. # Standard library imports. import sys import os.path import logging # Enthought library imports. from apptools.logger.api import LogFileHandler, FORMATTER from tra...
liulion/mayavi
mayavi/plugins/app.py
Python
bsd-3-clause
8,773
[ "Mayavi" ]
86f2e98412d6f51150a089df7d836302512bbcd82e2381a1411bff3166ceb794
""" Diffusion 2: jump diffusion, stochastic volatility, stochastic time Created on Tue Dec 08 15:03:49 2009 Author: josef-pktd following Meucci License: BSD contains: CIRSubordinatedBrownian Heston IG JumpDiffusionKou JumpDiffusionMerton NIG VG References ---------- Attilio Meucci, Review of Discrete and Contin...
bashtage/statsmodels
statsmodels/sandbox/tsa/diffusion2.py
Python
bsd-3-clause
13,371
[ "Gaussian" ]
f1a9643fd7c409ad17ae3ccaff9019fdb69e1d70f75701bf316dfa08a996038d
#!/usr/bin/env python ######################################################################## # File : dirac-dms-pfn-accessURL # Author : Stuart Paterson ######################################################################## """ Retrieve an access URL for a PFN given a valid DIRAC SE """ import DIRAC from DIRAC....
ic-hep/DIRAC
src/DIRAC/Interfaces/scripts/dirac_dms_pfn_accessURL.py
Python
gpl-3.0
1,287
[ "DIRAC" ]
66d6ea27258fd8b06077e8416ab42f312e501729338136ed35f7c1aef066895f
""" Failover Transfer The failover transfer client exposes the following methods: - transferAndRegisterFile() - transferAndRegisterFileFailover() Initially these methods were developed inside workflow modules but have evolved to a generic 'transfer file with failover' client. The transferAndR...
fstagni/DIRAC
DataManagementSystem/Client/FailoverTransfer.py
Python
gpl-3.0
11,111
[ "DIRAC" ]
dcd50d74113edc25d59505947aa8d1a8be28ef959e37b7f59e773ec0a581dba6
# This file is part of PyEMMA. # # Copyright (c) 2015, 2014 Computational Molecular Biology Group, Freie Universitaet Berlin (GER) # # PyEMMA 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 versi...
gph82/PyEMMA
pyemma/coordinates/tests/test_fragmented_trajectory.py
Python
lgpl-3.0
8,281
[ "MDTraj" ]
6ca4717746f958cff6106b9acd9c65bb61305b3603921320cc96d8c9f209e184
# # Copyright (c) 2017 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use...
yashdsaraf/scancode-toolkit
src/licensedcode/match.py
Python
apache-2.0
52,884
[ "VisIt" ]
30848972af59b1764bfee9d8f79d9d5437f5779e15808078ef25dfbf61cdab51
# Copyright (C) 2010 CAMd # Please see the accompanying LICENSE file for further information. """This module provides all the classes and functions associated with the evaluation of exact exchange with k-point sampling.""" from math import pi, sqrt import sys import numpy as np from ase import Atoms from ase.units i...
ajylee/gpaw-rtxs
gpaw/xc/hybridq.py
Python
gpl-3.0
16,477
[ "ASE", "GPAW" ]
34fa95107507bc33c75c1e84b5128a57b6ee2209fbcbfa6ff1aea831a7022629
# -*- coding: utf-8 from yade import ymport, utils,pack,export,qt import gts,os from yade import geom #import matplotlib from yade import plot #from pylab import * #import os.path, locale ################################# ##### FUNCTIONS #### ################################# def limitfinder(): for ...
anna-effeindzourou/trunk
examples/anna_scripts/triax/triaxial_test.py
Python
gpl-2.0
13,308
[ "ParaView" ]
826687be038b8a1d9aefd663623a65242fc2a61c8de30bf8417c01c51d865c71
""" Plotting Service generates graphs according to the client specifications and data """ __RCSID__ = "$Id$" import os import hashlib from types import DictType, ListType from DIRAC import S_OK, S_ERROR, rootPath, gConfig, gLogger, gMonitor from DIRAC.ConfigurationSystem.Client import PathFinder from DIRAC.Core....
coberger/DIRAC
FrameworkSystem/Service/PlottingHandler.py
Python
gpl-3.0
2,415
[ "DIRAC" ]
3faf0de094668bfcaf6df8bfde47a069c63e556b1e0ab9b05a585516e880eb06
"""Read and write notebooks in JSON format. Authors: * Brian Granger """ #----------------------------------------------------------------------------- # Copyright (C) 2008-2011 The IPython Development Team # # Distributed under the terms of the BSD License. The full license is in # the file COPYING, distribute...
mattvonrocketstein/smash
smashlib/ipy3x/nbformat/v1/nbjson.py
Python
mit
1,503
[ "Brian" ]
b300ab603aaba5e8087e1cd024f75b6aaee430c8258b77122180451da529993d
# -*- coding: utf-8 -*- # # DAX documentation build configuration file, created by # sphinx-quickstart on Tue Jan 12 14:43:53 2016. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present in this # autogenerated file. # # All c...
VUIIS/dax_spiders
docs/conf.py
Python
mit
9,546
[ "Brian" ]
3deb0d71736dc963349606d769281dadee69dfb3c950331f400a09b74a9b9ecd
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations class Migration(migrations.Migration): dependencies = [ ('api', '0128_auto_20160419_1708'), ] operations = [ migrations.AlterField( model_name='usicalvote', n...
dburr/SchoolIdolAPI
api/migrations/0129_auto_20160511_1442.py
Python
apache-2.0
956
[ "CRYSTAL" ]
c951415ab309cfa3bce7f896125b5817f7e384bf6b8fcffa9ae9d769ca594b1a
#!/usr/bin/python # -*- coding: utf-8 -*- # # Copyright 2013 The Plaso Project Authors. # Please see the AUTHORS file for details on individual 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 L...
iwm911/plaso
plaso/parsers/cookie_plugins/ganalytics.py
Python
apache-2.0
5,883
[ "VisIt" ]
dbf23d6d150ca01a405f8a265c2cf69a7ec4ed7856406dd84e7fb8226a306b3c
# -*- coding: utf-8 -*- """ Created on Sat Dec 10 16:26:15 2016 @author: Rachid & Chaima """ import numpy as np import matplotlib.pyplot as plt from scipy import ndimage, misc import image import utils import pdb # #def div0( a, b ): # """ ignore / 0, div0( [-1, 0, 1], 0 ) -> [0, 0, 0] """ # with np.errstate(d...
Rachine/ExposureFusion
laplacianfusion.py
Python
mit
4,883
[ "Gaussian" ]
05dc594411b1cdabd2399638caac38a57de0d11d6b55029bbe4bf8efb5867083
import os import datetime import numpy as np import xarray as xr import requests import logging log=logging.getLogger('noaa_coops') from ... import utils from .common import periods all_products=dict( water_level="water_level", air_temperature="air_temperature", water_temperature="water_temperature", ...
rustychris/stompy
stompy/io/local/noaa_coops.py
Python
mit
11,330
[ "NetCDF" ]
e8f929cef0ba04738270749b2b1d10389c9d057ef3e6e7c2570a57d4732c761b
#!/usr/bin/python # # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2022 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...
susilehtola/psi4
doc/sphinxman/document_cfour.py
Python
lgpl-3.0
2,632
[ "CFOUR", "Psi4" ]
07c4fb85a15fc8cb43ea62b6aab88b353af162ae95511a72ebe37a72021838c9
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() ren1 = vtk.vtkRenderer() renWin = vtk.vtkRenderWindow() renWin.AddRenderer(ren1) iren = vtk.vtkRenderWindowInteractor() iren.SetRenderWindow(renWin) # read data # reader = vtk.vtkGene...
collects/VTK
IO/EnSight/Testing/Python/EnSight6OfficeBin.py
Python
bsd-3-clause
2,072
[ "VTK" ]
81a0d2ce603bc3006bdb439847e1c094011f2f69910c5dfdb4941a4985c3dc21
import unittest, time, sys, random sys.path.extend(['.','..','../..','py']) import h2o2 as h2o import h2o_cmd, h2o_import as h2i, h2o_jobs, h2o_glm from h2o_test import verboseprint, dump_json, OutputObj from tabulate import tabulate class Basic(unittest.TestCase): def tearDown(self): h2o.check_sandbox_fo...
bikash/h2o-dev
py2/testdir_single_jvm/test_GLM_basic_1.py
Python
apache-2.0
4,180
[ "Gaussian" ]
4a80d6d6e8dc3a0dd2de4030a1a5cecbd6d5f2076d0f3535882dd445ebaf1228
import logging from django.contrib.auth.decorators import login_required from django.shortcuts import render from django.http import HttpResponseRedirect from core.utils import get_context from .utils import BLASTNew from .forms import BLASTNewForm log = logging.getLogger(__name__) @login_required def index(reque...
carlosp420/VoSeq
blast_new/views.py
Python
bsd-3-clause
1,590
[ "BLAST" ]
6868e3b58d08cec3b69841210dcc4d723377271a89ef3f0e187bdf611551d33c
from distutils.core import setup setup( name='ss2csv', version='0.0.1', author='Brian Downs', author_email='brian.downs@gmail.com', maintainer='Brian Downs', maintainer_email='brian.downs@gmail.com', scripts=['ss2csv.py'], packages=['ss2csv'], package_data={ '': ['*.txt'], ...
briandowns/ss2csv
setup.py
Python
apache-2.0
513
[ "Brian" ]
6d5ef635e04afced635a95b88ffa7c2742fe1691bc7eea681958e7a80a6ecda8
import pickle import numpy as np from numpy.testing import assert_array_almost_equal from sklearn.neighbors.ball_tree import (BallTree, NeighborsHeap, simultaneous_sort, kernel_norm, nodeheap_sort, DTYPE, ITYPE) from sklearn.neighbors.dis...
theoryno3/scikit-learn
sklearn/neighbors/tests/test_ball_tree.py
Python
bsd-3-clause
10,258
[ "Gaussian" ]
f0573e79ab0489180937032f5ebdc21739f228a07e7f0c8f67a60cf39e88e23e
#!/usr/bin/env python # Copyright 2014-2020 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...
sunqm/pyscf
pyscf/dft/gen_grid.py
Python
apache-2.0
23,326
[ "NWChem", "PySCF" ]
5ebe08aa099445f23040f371db4cd7b76603d5565f8037ad674645623c656232
""" String multi-replace for all appropriate files in directory Requires manual use """ import os, sys directory = "../src/org/mhag/model/data/mh3g/" pretend = False # If True, don't actually write # IMPORTANT - removes all temporary files created by bakaneko tools, # to prevent cross contamination directory = "....
PrincessTeruko/MHAGr
tools_(bakaneko)/dir_replace.py
Python
gpl-3.0
4,136
[ "BLAST" ]
00a473981eba7c502d3917556a61b5f2708ab4c4ed8d14809289ed71abcc5a51
#!/usr/bin/env python3 # -*- coding=utf-8 -*- """ cry2cif\n\n Read the last geometry corresponding to the CRYSTALLOGRAPHIC CELL on a CRYSTAL09 output file and print it in a cif format. If geometry optimization did not converge, input geometry is printed instead. """ # TODO: # * returns coordinates instead of write ...
gVallverdu/myScripts
CRYSTAL/cry2cif_old.py
Python
gpl-2.0
16,643
[ "CRYSTAL", "VASP" ]
7cc338cb136a0317a5dec2f23dc03ed6650e04b16f4c255133ae2113d3a05175
from __future__ import print_function #!/usr/bin/env python ''' isotropy http://stokes.byu.edu/isolinux.html http://stokes.byu.edu/iso.tar.gz You will need to create a directory to unzip the above tarfile in, cd mkdir iso cd iso wget http://stokes.byu.edu/iso.tar.gz tar xvzf iso.tar.gz #put this in your .cshrc se...
suttond/MODOI
ase/calculators/jacapo/utils/findsym.py
Python
lgpl-3.0
3,108
[ "ASE" ]
296fb2a20d135476881ef543f11e48d3036a80c670761f5efb006874d482feca
#!python # coding=utf-8 import os from datetime import datetime from .utils import all_subclasses from .dataset import EnhancedDataset from . import logger class CFDataset(EnhancedDataset): default_fill_value = -9999.9 default_time_unit = 'seconds since 1990-01-01 00:00:00' @classmethod def load(cl...
joefutrelle/pocean-core
pocean/cf.py
Python
mit
5,636
[ "NetCDF" ]
bf1a443a758764001a70bbea31356b66db3ded5179fc91355e3755416159ee82
# Set up a basic scene for rendering. from paraview.simple import * import sys script = """ import numpy import paraview.numpy_support def setup_data(view): # Don't actually need any data pass def render(view, width, height): cb = numpy.zeros((height, width, 4), dtype=numpy.uint8) for i in xrange(width): ...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/Applications/ParaView/Testing/Python/TestPythonViewNumpyScript.py
Python
gpl-3.0
974
[ "ParaView", "VTK" ]
80a99973b3115222caf69ea3d2697b548d0fad6415ad5c3016a7b7edf3bae883
# coding=utf-8 """**Utilities for storage module** """ import os import re import copy import numpy import math from ast import literal_eval from osgeo import ogr from collections import OrderedDict from geometry import Polygon from safe.gis.numerics import ensure_numeric from safe.common.utilities import verify from...
wonder-sk/inasafe
safe/storage/utilities.py
Python
gpl-3.0
37,736
[ "NetCDF" ]
219aa9f2cf2881972a39e44850fba949ac5edfde5cf6648dd0439fb2318c7a6d
########################################################################### # (C) Vrije Universiteit, Amsterdam (the Netherlands) # # # # This file is part of AmCAT - The Amsterdam Content Analysis Toolkit # # ...
amcat/amcat
amcat/tools/amcattest.py
Python
agpl-3.0
15,168
[ "VisIt" ]
acf02bfd812025fac44cebdce04a8a265e7c4b407b6537469693ce746737a9ff
#!/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_diis.py
Python
apache-2.0
3,064
[ "PySCF" ]
cbb99000ca02f759127576fb396115d8a4cd9f625c1a82f050ccac521c49e4e0
#!/usr/bin/python # -*- coding: utf-8 -*- # # 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 License as published by # the Free Software Foundation, either version 3 of the License, or # ...
dmitry-sobolev/ansible
lib/ansible/modules/network/lenovo/cnos_interface.py
Python
gpl-3.0
27,026
[ "VisIt" ]
c0456ef3e1a944c51ae96133c08b62cc64e30eb5d324bfa7058782241e2054cd
#!/usr/bin/python # # Created on Aug 25, 2016 # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # Avi Version: 17.1.1 # # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the te...
andreaso/ansible
lib/ansible/modules/network/avi/avi_cloud.py
Python
gpl-3.0
9,205
[ "VisIt" ]
184def41458fd123e358112153a741e0ab9f23cf972ad6f3b4b0060f53ea6200
# Authors: Nicolas Goix <nicolas.goix@telecom-paristech.fr> # Alexandre Gramfort <alexandre.gramfort@telecom-paristech.fr> # License: BSD 3 clause import numbers import numpy as np from scipy.sparse import issparse from warnings import warn from ..tree import ExtraTreeRegressor from ..utils import ( chec...
xuewei4d/scikit-learn
sklearn/ensemble/_iforest.py
Python
bsd-3-clause
18,579
[ "Gaussian" ]
35f9a977d0bb84873c32ac480413f0de89f209e279736706be91e5cf67625394
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations class Migration(migrations.Migration): dependencies = [ ('visit', '0018_auto_20150505_0322'), ] operations = [ migrations.AlterField( model_name='staff', name...
koebbe/homeworks
visit/migrations/0019_auto_20150505_0324.py
Python
mit
413
[ "VisIt" ]
693dfdf15cddc102ae1d9b9648a36c718d4eb56feb8efb2e1169adcee8cfb496
# This file is part of PyEMMA. # # Copyright (c) 2015, 2014 Computational Molecular Biology Group, Freie Universitaet Berlin (GER) # # PyEMMA 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 vers...
gph82/PyEMMA
pyemma/coordinates/tests/test_cluster.py
Python
lgpl-3.0
5,596
[ "Gaussian" ]
dab7011098c9cbce75143b4ec43bbb2cc515a25d7de9cd5888d10eae56b855f0
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module implements a core class LammpsData for generating/parsing LAMMPS data file, and other bridging classes to build LammpsData from molecules. This module also implements a subclass CombinedData for merging LammpsD...
materialsproject/pymatgen
pymatgen/io/lammps/data.py
Python
mit
60,452
[ "LAMMPS", "pymatgen" ]
968cb54512883f047a11560a867ee8de46e255a74c8a40e928428c2b3850795d
# Copyright 2015-2016 The James Hutton Institute # Author: Leighton Pritchard # # blast.py # # This code is part of the pyrbbh package, and is governed by its licence. # Please see the LICENSE file that should have been included as part of this # package. """Module to produce BLAST command-line jobs for RBH analysis....
widdowquinn/pyrbbh
pyrbbh/blast.py
Python
mit
7,943
[ "BLAST" ]
4d40b5e552073283053af7038e15b94f658de80d44677e9fcd05e763d9670333
# -*- test-case-name: buildbot.test.test_web -*- from zope.interface import implements from twisted.python import log, components import urllib import time, locale import operator from buildbot import interfaces, util from buildbot.status import builder from buildbot.status.web.base import Box, HtmlResource, IBox, ...
centrumholdings/buildbot
buildbot/status/web/waterfall.py
Python
gpl-2.0
29,662
[ "VisIt" ]
6581e2c147db1e55f1e4954a1b0421b98cbaf3522756ca703ee7e9451213b407
from cloudbio.galaxy.tools import _install_application def install_tool(options): version = options.get("galaxy_tool_version") name = options.get("galaxy_tool_name") install_dir = options.get("galaxy_tool_dir", None) _install_application(name, version, tool_install_dir=install_dir) configure_actions...
heuermh/cloudbiolinux
cloudbio/deploy/plugins/galaxy.py
Python
mit
368
[ "Galaxy" ]
ae9a0ac69a2f6a7f84838c342d40e7453ad6812f92708b8e7bf70a0c284a5a71
""" Records who we trust to sign feeds. Trust is divided up into domains, so that it is possible to trust a key in some cases and not others. @var trust_db: Singleton trust database instance. """ # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. from zeroinstall i...
timdiels/0install
zeroinstall/injector/trust.py
Python
lgpl-2.1
8,547
[ "VisIt" ]
b964cf3b94b0f311ffc499b1c731ab9facb0e972e00caf8bcc6b0bf3ad81bbc5
# ---------------------------------------------------------------------------- # cocos2d # Copyright (c) 2008-2012 Daniel Moisset, Ricardo Quesada, Rayentray Tappa, # Lucio Torre # Copyright (c) 2009-2014 Richard Jones, Claudio Canepa # All rights reserved. # # Redistribution and use in source and binary forms, with o...
google-code-export/los-cocos
cocos/batch.py
Python
bsd-3-clause
4,493
[ "VisIt" ]
a03b01e2b9b59574cd9edb9c27ca16eccc76fc66ef0a435c8d410b9a1f76a05f
""" Definition of the direction class """ import os import logging from astropy.coordinates import Angle import numpy as np import lsmtool from lsmtool.operations_lib import radec2xy import matplotlib.path as mplPath from scipy.ndimage import gaussian_filter from scipy.special import erf import sys import glob class ...
revoltek/factor
factor/lib/direction.py
Python
gpl-2.0
54,010
[ "Gaussian" ]
d30c90e2b07a781739a66560680ca8621b40b5dd4321be3fe0e585a380284271
#!/usr/bin/env python -i # preceding line should have path for Python on your machine # vizplotgui_vmd.py # Purpose: viz running LAMMPS simulation via VMD with plot and GUI # Syntax: vizplotgui_vmd.py in.lammps Nfreq compute-ID # in.lammps = LAMMPS input script # Nfreq = plot data point and viz shap...
akohlmey/lammps
python/examples/vizplotgui_vmd.py
Python
gpl-2.0
4,114
[ "LAMMPS", "VMD" ]
db8e103443a5bd804975c6c0c5269f6fc908ab8163644162285b627a991afd0a
from __future__ import division, print_function # Multicut Pipeline implemented with luigi # Blockwise solver tasks import luigi from .pipelineParameter import PipelineParameter from .dataTasks import ExternalSegmentation from .customTargets import HDF5DataTarget from .multicutProblemTasks import MulticutProblem fro...
constantinpape/mc_luigi
mc_luigi/blockwiseMulticutTasks.py
Python
mit
28,304
[ "VisIt" ]
cd764d442511f063e1340667daf813c97ac8cec86aa47beb72d463fbece64c04
# This module implements classes for peptide chains and proteins. # # Written by Konrad Hinsen # last revision: 2001-4-2 # import Biopolymers, Bonds, ChemicalObjects, Collection, ConfigIO, Database import Units, Universe, Utility from Scientific.Geometry import Vector import operator, string, umath from Biopolymers i...
fxia22/ASM_xf
PythonD/site_python/MMTK/Proteins.py
Python
gpl-2.0
24,134
[ "CHARMM" ]
d5b0e406e070974e9c911ca40f56fdcbfb2a3d8f9ac6c5e606f9c6b8a775ea3c
#!/usr/bin/env Python ########################################################################## # # Copyright (C) 2015-2016 Sam Westreich # # 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; # # T...
transcript/samsa_v2
python_scripts/DIAMOND_subsystems_analysis_counter.py
Python
gpl-3.0
6,159
[ "BLAST" ]
77a5cb808ee37c2b026b964ca3883e157b2b3783aa94daca028ddd7e8a4358ec
class User(object): def __init__(self): pass def schema(): _schema = { "title" : "User", "type" : "object", "properties" : { "id" : {"type": "string"}, "apikey" : { "description" : "User apikey for webservic...
materials-commons/materialscommons-clients
python/materialscommons/dm.py
Python
gpl-2.0
25,238
[ "VASP" ]
798bf5d3760a623603e5ad0a799bec21ed2c1395fb85cb422f466d44069c1bc0
#!/bin/env python3 import sys import argparse import math import re import traceback from directives import DirectiveProcessor, D_Pragma from tokens import Tokenizer from renderers import * from sdscp_errors import * import statements import getpass VERSION = '1.5.0' # ==================== Command Line Arguments pr...
naro/sdscp
sdscp.py
Python
gpl-2.0
7,989
[ "VisIt" ]
77857521bc1548a979afadf757f3c28c9a97525eb57373fab1d7d8f32f2e2f7a
# $Id$ # # Copyright (c) 2010, 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...
jandom/rdkit
rdkit/Chem/FunctionalGroups.py
Python
bsd-3-clause
5,073
[ "RDKit" ]
06d2d98598fc35bbe02e3787eae51764430f61c33eb431840ac99b8e1cc864a4
# -*- coding: utf-8 -*- from __future__ import unicode_literals def to_string(x): if x.__class__.__name__ == 'bytes': return x.decode('utf-8') return x import unittest, regex, os from __init__ import oprex, OprexSyntaxError class TestErrorHandling(unittest.TestCase): def given(self, oprex_sourc...
rooney/oprex
tests.py
Python
lgpl-3.0
249,199
[ "ESPResSo" ]
7109831d33cf9aa7ad59454a62135a391d69fd433656939318dd9bbd503b86bb
# Read in soil temperature data (assumes this is always there) # ref: http://bigladdersoftware.com/epx/docs/8-2/auxiliary-programs/epw-csv-format-inout.html soilData = self.header[3] self.nSoil = int(soilData[1]) # Number of ground temperature depths self.Tsoil = utilities.zeros(self.nSoil,12) # nSoil x 1...
saeranv/UWG_Python
UWG/roadscratch.py
Python
gpl-3.0
2,019
[ "EPW" ]
df7ff9dbc2df9cb0559f29fe88a2aa57e11083d6ffc3390f1f6f3f97eea2e1c7
############################################################################## # 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...
tmerrick1/spack
var/spack/repos/builtin/packages/mirdeep2/package.py
Python
lgpl-2.1
2,851
[ "Bowtie" ]
65563f24aa7c3c94eeee6b7b79e020ce70043b959d2920157566eab2e48a7ab4
import individual import copy import numpy as np class Simulated_Annealing(object): '''' Simulated Annealing It is a probabilistic technique for approximating the global optimum of a given function. Specifically, it is a metaheuristic to approximate global optimization in a large s...
Alfo5123/PolyPic
docs/sim_annealing.py
Python
mit
3,207
[ "VisIt" ]
a01a196f77f06895dd695b3bb46937e6a78ecddc28aeb0798c2142f1f004f451
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2007 Donald N. Allingham # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 Jakim Friant # Copyright (C) 2011 Paul Franklin # # This program is free software; you can redistribute it and/or modify # it under the terms o...
jralls/gramps
gramps/plugins/tool/verify.py
Python
gpl-2.0
69,208
[ "Brian" ]
73a7eece57660ca472b908368baf9261c3e527fa993df6d602724e2251176995
#!/usr/bin/env python ''' useage: LCSiellipse.py fileprefix run from OffCenter subdirectory the program: - grabs all files with CLUSTER*.fits - makes sure that masked image mCLUSTER*.fits exists - will run imedit if mask is not found - runs ellipse interactively - saves result in ../Final subdirectory ''' i...
rfinn/LCS
paper1code/LCSiellipse.py
Python
gpl-3.0
12,042
[ "Galaxy" ]
b914c510074cdc9c7ff276c95ebbd17b2cdad4ce40652b60e5a7fba8313b71ec
__author__ = 'Luqman' import cv2 import numpy as np import PostProcessing from BackgroundSubtraction import BackgroundSubtraction from BackgroundSubtraction import BackgroundSubtractionColor """ Author: Luqman A. M. BackgroundSubtractionImpl.py Background Subtraction Algorithms Implementation for Object Detection in ...
umanium/trafficmon
BackgroundSubtractionImpl.py
Python
mit
14,858
[ "Gaussian" ]
b0787f99dd0b1047048f7fc489e2f9d141e451239fc73628e08397fe7acf810c
# Copyright 2013 Nebula 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...
openstack/python-openstackclient
openstackclient/tests/unit/identity/v3/fakes.py
Python
apache-2.0
34,955
[ "exciting" ]
bb1739d63252aebd3c97b733af499b5e6641fd024e6fc8cd2964da5aac4baf22
# Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of t...
govarguz/espressopp
src/standard_system/__init__.py
Python
gpl-3.0
1,125
[ "ESPResSo" ]
729318ddb15bb17cbdf13188bdefb0b9aa2f99fabf688ea507f860c0e329115a
# 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/policies/samplers/cem_actions_sampler_continuous_and_one_hot.py
Python
apache-2.0
21,624
[ "Gaussian" ]
5743f3d0ccb1d2b8356c1e30373418857f7ff85a811860f01b41cfbc9deef5d1
# -*- coding: utf-8 -*- from __future__ import unicode_literals import datetime import os from django.contrib.auth.models import Permission from django.conf import settings from django.core import mail from django.core.cache import cache from django.core.urlresolvers import reverse from django.core.exceptions import V...
skolsuper/pybbm
pybb/tests.py
Python
bsd-2-clause
104,993
[ "VisIt" ]
0e47a1977f2734e2270c506975dbad3dfc0693addafc0c5fc7a4dfb6cf27610a
#!/usr/bin/env python """moose_sim.py: A cable with 1000 compartments with HH-type channels in it. Last modified: Wed May 21, 2014 09:51AM """ __author__ = "Dilawar Singh" __copyright__ = "Copyright 2013, NCBS Bangalore" __credits__ = ["NCBS Bangalore", "Bhalla Lab"] __license__...
subhacom/moose-core
tests/python/Rallpacks/moose_vs_neuron/rallpack3/moose_sim.py
Python
gpl-3.0
10,110
[ "MOOSE" ]
452f996e5620911943fd76be51787de935832379cce55bd44ad697831ba67648
#!/usr/bin/env python ''' Quantile regression model Model parameters are estimated using iterated reweighted least squares. The asymptotic covariance matrix estimated using kernel density estimation. Author: Vincent Arel-Bundock License: BSD-3 Created: 2013-03-19 The original IRLS function was written for Matlab by...
statsmodels/statsmodels
statsmodels/regression/quantile_regression.py
Python
bsd-3-clause
14,115
[ "Gaussian" ]
9c442d418bad7f23de3d12a4c89022519d0f34b3a4790b974245001382cb11f3
from django.conf import settings from django.conf.urls import include, url from django.conf.urls.static import static from django.contrib import admin from django.views.generic import TemplateView from django.views import defaults as default_views from edi.content import views as content_views urlpatterns = [ url(...
CT-Data-Collaborative/edi-v2
config/urls.py
Python
mit
1,773
[ "VisIt" ]
e7aef10c0419f3e5012c0dd0bd41a94217aadaa699b296a1ac62b226b90e7a26
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides classes to define everything related to band structures. """ import numpy as np import re import math import itertools import collections import warnings from monty.json import MSONab...
tschaume/pymatgen
pymatgen/electronic_structure/bandstructure.py
Python
mit
52,834
[ "CRYSTAL", "pymatgen" ]
5d7a60652d48de0ea98da5c234d48d3ad817485a0b1281fe078a28a2ebe4d4c8
from __future__ import print_function import os import pytest from os.path import join import sys import unittest import subprocess if sys.platform == "win32": GULP = "gulp.cmd" else: GULP = "gulp" @pytest.mark.js class TestBokehJS(unittest.TestCase): def test_bokehjs(self): os.chdir('bokehjs') ...
phobson/bokeh
tests/test_bokehjs.py
Python
bsd-3-clause
669
[ "GULP" ]
24efdbe3655256c8a0ff721edf0471a73f2ce3863ea0a8985fd065dfa164eca7
# # @file TestXMLNode.py # @brief XMLNode unit tests # # @author Akiya Jouraku (Python conversion) # @author Michael Hucka <mhucka@caltech.edu> # # ====== WARNING ===== WARNING ===== WARNING ===== WARNING ===== WARNING ====== # # DO NOT EDIT THIS FILE. # # This file was generated automatically by converting th...
TheCoSMoCompany/biopredyn
Prototype/src/libsbml-5.10.0/src/bindings/python/test/xml/TestXMLNode.py
Python
bsd-3-clause
44,331
[ "VisIt" ]
d97be3e2bf2005fb33985443bc0968020788ebe0c74bbbdaa2ce101b8ff4ae3b
#!/usr/bin/env python # -*- coding: utf-8 -*- # beads.py """ Calculate bead densities. Copyright (c) 2016, David Hoffman """ import click from scipy.constants import Avogadro, pi def good_N(ci, M, Nf=5e10): """ This function is for converting a dye solution into desired number of particles. Paramet...
david-hoffman/scripts
beads.py
Python
apache-2.0
3,050
[ "Avogadro" ]
e6b91df1c90389406ad9ac16aaf5b9dcad95c961d9119d5440f9c8774a295e94
# for LEGO Movie Module LEGO_QUOTES = [ "He is coming... cover your butt.", "You've hidden the Kragle well old man. Robots! Destroy him.", "Your robots are no match for a Master Builder, for I see everything!", "Ahh Haa Haa! Now my evil power will be unlimited. Can you feel me?!", "One day a talent...
idooo/pancake-hipchat-bot
plugins/lego/lego_quotes.py
Python
mit
14,822
[ "Galaxy" ]
661e12a64729f13bea3539320de55650d376c32e0a65fcfbfbca280d530727f1
# coding: utf-8 # Copyright (c) Materials Virtual Lab. # Distributed under the terms of the BSD License. """ Implementation for `pmg query` CLI. """ from pymatgen.ext.matproj import MPRester import json from monty.serialization import dumpfn import re from tabulate import tabulate def do_query(args): """ P...
gVallverdu/pymatgen
pymatgen/cli/pmg_query.py
Python
mit
1,959
[ "pymatgen" ]
563e0fe941749d0e5057fce910ec24b04f3040996177b3114df7eaea532976e7
""" A python wrapper for SkyNet neural network that can de downloaded here : http://ccpforge.cse.rl.ac.uk/gf/project/skynet/ SkyNet is an efficient and robust neural network training code for machine learning. It is able to train large and deep feed-forward neural networks, including autoencoders, for use in a wide ra...
cbonnett/SkyNet_wrapper
src/SkyNet.py
Python
gpl-3.0
28,963
[ "exciting" ]
b55ac763ec9d3ee498d51c6209b2adbaec9937965c909403b9c3131baa6d1a5f
#!/usr/bin/env python """ LAMMPS Replica Exchange Molecular Dynamics (REMD) trajectories are arranged by replica, i.e., each trajectory is a continuous replica that records all the ups and downs in temperature. However, often the requirement is trajectories that are continuous in temperature, which is achieved by this...
Pakketeretet2/lammps
tools/replica/reorder_remd_traj.py
Python
gpl-2.0
20,165
[ "LAMMPS" ]
3de368d200a0a239160d86c0bf94d117e3bd860a66764523c2435d6f7ee4efcb
# -*- coding: utf-8 -*- import subprocess import random from splinter import Browser from splinter import exceptions import time import threading from selenium.common.exceptions import ElementNotVisibleException from splinter.exceptions import ElementDoesNotExist from urllib2 import URLError import string import const...
mmulazzani/alibiFramework
simulator/scheduler/surfThread.py
Python
gpl-3.0
17,461
[ "VisIt" ]
1a6998dd2125b192a35f7ed778c114d0a758f626bfd47de438bd51d11a439a04
# Copyright 2001 by Gavin E. Crooks. 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. # Gavin E. Crooks 2001-10-10 """ASTRAL RAF (Rapid Access Format) Sequence Maps. The ASTRAL...
bryback/quickseq
genescript/Bio/SCOP/Raf.py
Python
mit
10,101
[ "Biopython" ]
fd30570ba9e120927286b8c5c1dafc93a02a2af4587c7a4324ceed9b5f49d314
############################################################################## # 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
lib/spack/spack/test/url_parse.py
Python
lgpl-2.1
20,084
[ "BLAST", "Gromacs", "HOOMD-blue", "Jmol", "Octopus", "VisIt" ]
42d280b6d11bfff6f557db4c21a95259aeadb28b9291284cc4d8b7edd6cb6cfa
import os import sys from math import sin, cos, radians, atan2, degrees import numpy as np from ase.parallel import world class DevNull: def write(self, string): pass def flush(self): pass def seek(self, offset, whence=0): return 0 def tell(self): return 0 def...
conwayje/ase-python
ase/utils/__init__.py
Python
gpl-2.0
5,632
[ "ASE" ]
e0dc82394e2fb516d99438be6439538e92abd4225541d2194eb9b0409adfc11c
""" Extended math utilities. """ # Authors: Gael Varoquaux # Alexandre Gramfort # Alexandre T. Passos # Olivier Grisel # Lars Buitinck # Stefan van der Walt # Kyle Kastner # Giorgio Patrini # License: BSD 3 clause from __future__ import division from funct...
Djabbz/scikit-learn
sklearn/utils/extmath.py
Python
bsd-3-clause
23,268
[ "Gaussian" ]
42ac3b70321f1c83a314ebe7ac7171d60dac3f2758db60fc3034bba7bf11f298
# -*- coding: utf-8 -*- # Copyright 2007-2016 The HyperSpy developers # # This file is part of HyperSpy. # # HyperSpy 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...
sem-geologist/hyperspy
hyperspy/io.py
Python
gpl-3.0
23,941
[ "NetCDF" ]
941b412166dd548329f08505badc908e803591148b83a9b7b7e14bd2a83b9aab
# -*- coding:utf-8; python-indent:2; indent-tabs-mode:nil -*- # Copyright 2013 Google Inc. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/l...
pombredanne/pytype
pytype/pytd/parse/parser_test.py
Python
apache-2.0
3,604
[ "VisIt" ]
1218f5f7ab02f40353fb87c03d90561add99c20aae87260e69db7cfb21abeee7
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module implements a Composition class to represent compositions, and a ChemicalPotential class to represent potentials. """ import collections import numbers import os import re import string import warnings from fun...
vorwerkc/pymatgen
pymatgen/core/composition.py
Python
mit
50,992
[ "pymatgen" ]
b81b0e8806c6bc74f924c7d5104968f0b49fbafef8bca0bae631070de046e55c
from setuptools import setup, find_packages setup( name = 'octopus', version = '1.0.0', packages = find_packages(), install_requires = [ "werkzeug==0.8.3", "Flask==0.9", "Flask-Login==0.1.3", "requests", "esprit", "simplejson", "lxml==3.4.4", ...
JiscPER/magnificent-octopus
setup.py
Python
apache-2.0
966
[ "Octopus" ]
5eab7892b032c43b6fec385a968729d232e11d2917ce63ce4a6231fc1f76df5f
# ----------------------------------------------------------------------------------------------------- # CONDOR # Simulator for diffractive single-particle imaging experiments with X-ray lasers # http://xfel.icm.uu.se/condor/ # -------------------------------------------------------------------------------------------...
mhantke/condor
condor/particle/particle_spheroid.py
Python
bsd-2-clause
10,607
[ "Gaussian" ]
279b6ae68d7b6e5fa83d0ef04e5eab69fca99984ea9048aa86cb9c8c975fcc35
from django.core.management.base import BaseCommand from schools.models import School, BoundaryType from stories.models import Question, Questiongroup, QuestionType, QuestiongroupQuestions, Source class Command(BaseCommand): args = "" help = """Populate DB with GKA IVRS questions ./manage.py populategka...
klpdotorg/dubdubdub
apps/ivrs/management/commands/archived_commands/populategkaivrsdata.py
Python
mit
5,178
[ "VisIt" ]
4396fb34b2a4a468daaf1ae3878fdeb19f942eb674a92306dc7aa437e6ec0875
# Copyright 2009, Mark Fassler # 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, version 2 of the License. import vtk class create2dRectangle: def __init__ (self, xmin, ymin, xmax, ymax): ...
mfassler/jaivis
jv/primitives.py
Python
gpl-2.0
1,181
[ "VTK" ]
d48002630a39c8cc1796ab4a6e5bd2135c966d2a530511cff1253ce73490cb3a
# Date: September 2017 # Author: Kutay B. Sezginel """ Initialize Lammps simulation using lammps_interface """ import os import glob from lammps_interface.lammps_main import LammpsSimulation from lammps_interface.structure_data import from_CIF from . import read_lines, write_lines from thermof.sample import lammps_inpu...
kbsezginel/tee_mof
thermof/initialize/lammps.py
Python
mit
9,487
[ "LAMMPS" ]
8639766def96a6a2ed51abff11050e591b736c9e2b59509878d6a64cdd8f0889
################################################################################ # Copyright (C) 2013-2014 Jaakko Luttinen # # This file is licensed under the MIT License. ################################################################################ import numpy as np import matplotlib.pyplot as plt import functoo...
jluttine/bayespy
bayespy/inference/vmp/nodes/node.py
Python
mit
47,354
[ "Gaussian" ]
ccea97391589ca39fb6a7f997ebc9d2a25ae2f02b9a5070909c1f0be80b04d81
# -*- coding: utf-8 -*- #------------------------------------------------------------ # pelisalacarta - XBMC Plugin # Conector para longurl (acortador de url) # http://blog.tvalacarta.info/plugin-xbmc/pelisalacarta/ #------------------------------------------------------------ import urlparse from lib import unshort...
ChopChopKodi/pelisalacarta
python/main-classic/servers/expurl.py
Python
gpl-3.0
725
[ "ADF" ]
5e5d2e02ada13f6ab110d0dd55526acbd8ef89844a953d46516c5fc138e2cf87
#**************************************************************************** # This file has been modified from its original version. It has been # formatted to fit your irc bot. # # The original version is a nifty PyQt application written by Douglas Bell, # available at http://convertall.bellz.org/ # # Below is the ...
tecan/xchat-rt
plugins/scripts/encryption/supybot-code-6361b1e856ebbc8e14d399019e2c53a35f4e0063/plugins/Math/local/convertcore.py
Python
gpl-2.0
42,339
[ "Avogadro" ]
dbc286ee4777a1c89968675c515235b031089e12451356e07f89b5dd3a792ea3
#!/usr/bin/env python # File created on 17 Feb 2010 from __future__ import division from setuptools import setup from stat import S_IEXEC from os import (chdir, getcwd, listdir, chmod, walk, rename, remove, chmod, stat, devnull) from os.path import join, abspath from sys import platform, argv from subpr...
wasade/qiime
setup.py
Python
gpl-2.0
9,528
[ "Brian", "scikit-bio" ]
e708c4043a8982cc1161fff78b1a52ee445b24fd8c0885a76a80abbcaa4a15e4
""" Test class for Stalled Job Agent """ # imports from __future__ import absolute_import from mock import MagicMock # DIRAC Components from DIRAC.WorkloadManagementSystem.Agent.StalledJobAgent import StalledJobAgent from DIRAC import gLogger # Mock Objects mockAM = MagicMock() mockNone = MagicMock() mockNone.return...
fstagni/DIRAC
WorkloadManagementSystem/Agent/test/Test_Agent_StalledJobAgent.py
Python
gpl-3.0
4,552
[ "DIRAC" ]
5544f48a394849de8161ac24a22c676dd3d76fac65eb97ab18a9e8d9e7484aff
""" Pandas dataframes for Census tables. """ from ambry.pands import AmbryDataFrame, AmbrySeries import numpy as np from six import string_types def melt(df): """Melt a census dataframe into two value columns, for the estimate and margin""" import pandas as pd # Intial melt melted = pd.melt(df, id_...
CivicKnowledge/censuslib
censuslib/dataframe.py
Python
mit
8,628
[ "MOE" ]
b0bd155bba7bb90c9e1a35a9cd8495bc58c33aa5082f7560db654b3fd5bbb809
# Copyright 1999 by Jeffrey Chang. All rights reserved. # Copyright 2009 by Michiel de Hoon. 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. """ This module provides code to wo...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/ExPASy/Enzyme.py
Python
gpl-2.0
4,440
[ "Biopython" ]
96cd5f3e224edc427479e47e127d24ae8c9af3565254b96438aed6ec00e8fc89
#! /usr/bin/env python """ usage: vk <command> [<args>...] vk setup vk -h | --help vk --version commands: calc call filter geno genome hmm phylo primer rename tajima vcf2tsv """ from vcfkit import __version__ from .utils import lev, message from docopt import docopt from subprocess impo...
AndersenLab/vcf-toolbox
vcfkit/vk.py
Python
mit
3,184
[ "BLAST", "BWA" ]
c9d94e658c3e1ae0e4df174a16afe5905ab32f3f47a94230b824dc481769a162
from datetime import datetime from flask_babel import lazy_gettext from c3bottles import db from c3bottles.model import drop_point class Report(db.Model): """ The report of a visitor that a drop point needs maintenance. When visitors find a drop point needing maintenance, they may report the drop p...
der-michik/c3bottles
c3bottles/model/report.py
Python
mit
3,885
[ "VisIt" ]
df3014fe594304f17dab6a1728733433ea1f5f1d5c5bb1610f209f1f7473e01c
from ase.data import atomic_numbers, chemical_symbols, reference_states from ase.units import * import fcc import au lattice = {'fcc': fcc.data, } element = {79: au.data, #Au }
auag92/n2dm
Asap-3.8.4/Python/asap3/nanoparticle_mc/data/__init__.py
Python
mit
200
[ "ASE" ]
95a1d2fb8fccb07695416eb5810cd4b58943b7a94262fddb5170c913f6e56bce
from numpy import * from asap3 import * from ase.lattice.compounds import B2 from asap3.testtools import ReportTest atoms = B2(size=(332,166,5), symbol=('Cu', 'Zr'), latticeconstant=2.7) lj = LennardJones((29,40), 0.2*array([0.5, 1.0, 1.0, 0.5]), array([1.236, 2.0, 2.0, 2.352]), rCu...
auag92/n2dm
Asap-3.8.4/Test/LJ_Stress.py
Python
mit
722
[ "ASE" ]
1c771a3aed3f36811a31bf3d375a48f4301c6960dcabc74e2f006805ee9b14b5
# Copyright (C) 2015 Henrique Pereira Coutada Miranda, Alejandro Molina-Sanchez # All rights reserved. # # This file is part of yambopy # import xml.etree.ElementTree as ET from qepy.auxiliary import * from numpy import array from lattice import * HatoeV = 27.2107 class PwXML(): """ Class to read data from ...
henriquemiranda/yambopy
qepy/pwxml.py
Python
bsd-3-clause
7,356
[ "Quantum ESPRESSO" ]
7f352e991453c8ad57a1c4bcd137194371fdd5ca43efa4f94b6bcc09e36b8e27