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import ast import inspect import copy import six import random import sys import textwrap if sys.version_info[0] == 3 and sys.version_info[1] > 2: _TryNode = ast.Try else: _TryNode = ast.TryExcept if six.PY3: def getFunctionArgumentIdentifiers(node): return set(arg.arg for arg in node.args.args) ...
KholdStare/generators-to-coroutines
generators_to_coroutines/ast_transformers.py
Python
bsd-2-clause
11,280
[ "VisIt" ]
d89aed4a308a1d885126f7f5742a1356f235c13c63eaaae6a3d284eba18bc9f6
# -*- coding: utf-8 -*- """ ga_analyze.py ============= .. moduleauthor:: Geoff Hutchison <geoffh@pitt.edu> """ import sys import argparse from collections import deque from multiprocessing import Pool from scipy import ndimage, misc from skimage import morphology import numpy as np from PIL import Image import itert...
LangmuirSim/langmuir
LangmuirPython/ga2d/ga_analyze.py
Python
gpl-2.0
16,957
[ "VisIt" ]
6705e8b539a8fd434e6ea27b1b79f0f316a5040555436dd2bfb5569124bb7b53
import os import glob import tarfile import shutil import logging from optparse import OptionParser from Pegasus.db import connection from Pegasus.tools import utils from Pegasus.command import LoggingCommand, CompoundCommand from Pegasus.db.schema import * log = logging.getLogger(__name__) class SubmitDirException...
elainenaomi/sciwonc-dataflow-examples
sbbd2016/experiments/1-postgres/3_workflow_full_10files_primary_nosh_nors_annot_with_proj_3s/pegasus.bDkvI/pegasus-4.6.0/lib/python2.7/dist-packages/Pegasus/submitdir.py
Python
gpl-3.0
18,513
[ "VisIt" ]
a043c92a391b911ac2f9464d02bac270fe11abc056953caa43b05acfe2c58525
""" ======================== Decimating scalp surface ======================== This can be useful to reduce computation time when using a cloud of digitization points for coordinate alignment instead of e.g. EEG-cap positions. """ # Authors: Denis Engemann <denis.engemann@gmail.com> # Alexandre Gramfort <ale...
rajegannathan/grasp-lift-eeg-cat-dog-solution-updated
python-packages/mne-python-0.10/examples/forward/plot_decimate_head_surface.py
Python
bsd-3-clause
1,082
[ "Mayavi" ]
0f1e13b3212384c04241a2d3418e9604553924bfd39a07787227e08f019f9716
import numpy as np import scipy import re import os import hashlib import csb from csb.bio.io.wwpdb import StructureParser def chunks(l, n): """ Yield successive n-sized chunks from l. """ for i in xrange(0, len(l), n): yield l[i:i+n] class ScatteringFactor(object): """ Cacluates the ...
mmechelke/bayesian_xfel
bxfel/core/structure_factor.py
Python
mit
18,608
[ "Gaussian", "Mayavi" ]
a6186ec87c1161a6a885c77a69d3eed37a8d5834c086a0edef61f970b9d969a6
# -*- coding: utf-8 -*- """ Some tools for measuring line profiles of emission lines. Author: R. Lombaert """ import os import numpy as np from scipy import mean,sqrt,log, std,median from scipy import argmin,argmax,array from scipy.integrate import trapz from matplotlib import pyplot as plt from astropy import unit...
IvS-KULeuven/ComboCode
cc/data/LPTools.py
Python
gpl-3.0
33,638
[ "Gaussian" ]
ecd2942aab7b248c0b7b3431566de3b5dae1bf900863a81af9d99ef0eeb36aa5
# proxy module from __future__ import absolute_import from mayavi.tools.sources import *
enthought/etsproxy
enthought/mayavi/tools/sources.py
Python
bsd-3-clause
89
[ "Mayavi" ]
22598be9ff0ea014fd89dbd5494b66a641c31cb0d05887d0afbcadf0f1bef28e
# Licensed under a 3-clause BSD style license - see LICENSE.rst import math import numpy as np from .core import Kernel1D, Kernel2D, Kernel from .utils import KernelSizeError from ..modeling import models from ..modeling.core import Fittable1DModel, Fittable2DModel from ..utils.decorators import deprecated_renamed_a...
funbaker/astropy
astropy/convolution/kernels.py
Python
bsd-3-clause
32,546
[ "Gaussian" ]
9c45a19c8e74da0c26d242cf6c8ef504f1ad856a775983d550ebfcd84cc38210
from ase import * a = Atoms('H2', positions=[(0, 0, 0), (0, 0, 1.1)]) a.pbc[0] = 1 assert a.pbc.any() assert not a.pbc.all() a.pbc = 1 assert a.pbc.all() a.cell = (1, 2, 3) a.cell *= 2 a.cell[0, 0] = 3 assert not (a.cell.diagonal() - (3, 4, 6)).any()
freephys/python_ase
ase/test/properties.py
Python
gpl-3.0
253
[ "ASE" ]
4d48cc351d3c8c4e54ea907e83ade2d853d1dcb71b447c028e1936d25c39fd63
#!/usr/bin/env python # Copyright (c) 2011-2021, wradlib developers. # Distributed under the MIT License. See LICENSE.txt for more info. # flake8: noqa """ Raw Data I/O ============ Please have a look at the tutorial :ref:`/notebooks/fileio/wradlib_radar_formats.ipynb` for an introduction on how to deal with different ...
wradlib/wradlib
wradlib/io/__init__.py
Python
mit
1,036
[ "NetCDF" ]
19f7478c95f0640b20881b75469229029d77d27c7117f97e362d217fa542ab20
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding: utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- https://www.mdanalysis.org # Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under ...
MDAnalysis/mdanalysis
package/MDAnalysis/topology/GMSParser.py
Python
gpl-2.0
3,947
[ "GAMESS", "MDAnalysis" ]
47081610add331da0ac52175b0ec9a2fec3da693e8665130c6d7e235a690d762
######################################################################## # File : StalledJobAgent.py ######################################################################## """ The StalledJobAgent hunts for stalled jobs in the Job database. Jobs in "running" state not receiving a heart beat signal for more than stalle...
petricm/DIRAC
WorkloadManagementSystem/Agent/StalledJobAgent.py
Python
gpl-3.0
22,527
[ "DIRAC" ]
f48d4424b18cd6b3cf8fd99cf246f36648f8dfda4636dc1abbe13b35a23c8cfc
# 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/bandits/environments/wheel_py_environment.py
Python
apache-2.0
6,966
[ "Gaussian" ]
20b625d83df961c2aaa566ae958c6f0c87ad6adce5d5af852be7981f5d2a1694
# Copyright (C) 2009 by Eric Talevich (eric.talevich@gmail.com) # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Base classes for Bio.Phylo objects. All object representations for phylogenetic tree...
asherkhb/coge
bin/last_wrapper/Bio/Phylo/BaseTree.py
Python
bsd-2-clause
36,414
[ "Biopython", "Octopus" ]
6f738951c0d8d5ac0a1818757c0f32d0205ff01c4aa622bddeff784c789a7ea0
# -*- coding: utf-8 -*- from __future__ import unicode_literals 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 urlpat...
sethmenghi/mixify_django
config/urls.py
Python
bsd-3-clause
1,458
[ "VisIt" ]
169f1d19ed60dec08fe01caf3050341896b0705a8e5773c20ce468810b6ef50d
import matplotlib matplotlib.use('Agg') from matplotlib.pyplot import * import localgroup import triangle import sklearn from sklearn import mixture import numpy as np import pickle import matplotlib.patches as mpatches import sys exist = int(sys.argv[1]) if exist: save_path = '/afs/slac.stanford.edu/u/ki/mwillia...
drphilmarshall/LocalGroupHaloProps
final_scripts/gmm_prior_pair.py
Python
gpl-2.0
10,310
[ "Gaussian" ]
53536742679c74f57b1ddf374d717d30c5a96c052fe2525bc82ae04a899f9b92
""" This module handles everything related to log parsing """ import re # For parsing the log file (regular expressions) import os # For working with files on the operating system import logging # For logging from game_objects.item import Item from game_objects.floor import Floor, Curse from game_objects....
Hyphen-ated/RebirthItemTracker
src/log_parser.py
Python
bsd-2-clause
12,176
[ "GULP" ]
221367f2720beadaa8a2e8c6bd01eb667bf5a77364dc69a31dbfae7abad6e5f5
import numpy as np import numpy.linalg as la from ase.units import Hartree from gpaw.wavefunctions.lcao import add_paw_correction_to_overlap from gpaw.lcao.overlap import NewTwoCenterIntegrals as TwoCenterIntegrals from gpaw.lfc import BasisFunctions from gpaw.utilities import unpack from gpaw.utilities.tools import d...
robwarm/gpaw-symm
gpaw/lcao/projected_wannier.py
Python
gpl-3.0
14,480
[ "ASE", "GPAW" ]
fd150ad8a613518a81dca9fd0a8bc0d38e2cc5ca821f2967ba935198277ea1ce
import os import pprint # thanks https://stackoverflow.com/a/36693250 def package_files(directory, extensions): """ Walk package directory to make sure we include all relevant files in package. """ paths = [] for (path, directories, filenames) in os.walk(directory): for filename in fil...
vorwerkc/pymatgen
test.py
Python
mit
621
[ "pymatgen" ]
e800be143292725c20a6bfd9e7b18e58dd667bdd5e9218200eef88cd1dd2491f
#!/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...
trenton3983/Artificial_Intelligence_for_Humans
vol1/python-examples/examples/example_logit.py
Python
apache-2.0
4,421
[ "VisIt" ]
1c37b136ad6dba055fff233bfef0534cedec212fa276fa38d83c34bfe87e9ada
""" Basic function objects. TransferFns: accept and modify a 2d array ResponseFns: accept two 2d arrays and return a scalar LearningFns: accept two 2d arrays and a scalar, return one of the arrays modified """ # CEBALERT: Documentation is just draft. import numpy import param from imagen.transferfn import Transfer...
Tasignotas/topographica_mirror
topo/base/functionfamily.py
Python
bsd-3-clause
3,061
[ "NEURON" ]
e60d5b3f5499592fffb6945fa3d7339d03e8d0164281c2745171d2fb1c32ac26
#! /usr/bin/env python from __future__ import absolute_import from __future__ import print_function import sys import os import ez_setup import hashlib import time, random import re try: from urllib2 import quote from urllib2 import urlopen from urllib2 import HTTPError except ImportError: from urllib.p...
fmaguire/ete
setup.py
Python
gpl-3.0
5,987
[ "VisIt" ]
82f51186c3755d1d12ca1fa75d16b93acf9d705b5564698df0ade35c9e670804
# -*- coding: utf-8 -*- # # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2003-2005 Donald N. Allingham # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 lcc & Robert Jerome # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU ...
arunkgupta/gramps
gramps/plugins/rel/rel_pt.py
Python
gpl-2.0
18,927
[ "Brian" ]
5be614bc635e0b9af5210ed58b49e7e5a2754758014bea5746d84fd4b38e24e7
# Copyright 2008 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. """Parser for XML results returned by NCBI's Entrez Utilities. This parser is used by the re...
bryback/quickseq
genescript/Bio/Entrez/Parser.py
Python
mit
21,386
[ "Biopython" ]
53c5bb90100fb07ee0ef95926d830594ad4b5e43f5a7355a14612f645bf0fac5
#!/usr/local/bin/python3 # This work is licensed under the Creative Commons Attribution 3.0 United # States License. To view a copy of this license, visit # http://creativecommons.org/licenses/by/3.0/us/ or send a letter to Creative # Commons, 171 Second Street, Suite 300, San Francisco, California, 94105, USA. # f...
ohnorobo/pokemon
transparent.py
Python
mit
1,475
[ "VisIt" ]
42971a35cf57c24ed3f2fc7cf099902480702b86688246f31309805b4f8fb053
# -*- coding: utf-8 -*- import ast import base64 import csv import glob import itertools import logging import operator import datetime import hashlib import os import re import simplejson import time import urllib import urllib2 import urlparse import xmlrpclib import zlib from xml.etree import ElementTree from cStri...
quanvm009/codev7
openerp/addons/web/controllers/main.py
Python
agpl-3.0
68,922
[ "VisIt" ]
27c2deae111fc31bcf085915ecbeb3e136ecae69d1d4de31fed615ad825287cf
#!/usr/bin/env python # coding=utf8 # # Copyright (c) Jakub Olczyk # Published under GNU General Public License version 2 or above # For full text of the license visit www.gnu.org/licenses/gpl.html """ Main module with the abstraction for getting input from user """ from src.Utils import Singleton from src.Screen imp...
jakub-olczyk/miniVim
src/Input.py
Python
gpl-3.0
2,984
[ "VisIt" ]
71e699a6e4cc7d1fcb6333dc18631e06018d8fbd3cbb4065b190c6de1ad8c55d
######################################################################## # $HeadURL $ # File: RequestValidatorTests.py # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2012/09/25 13:49:20 ######################################################################## """ :mod: RequestValidatorTests =====================...
sposs/DIRAC
RequestManagementSystem/test/RequestValidatorTests.py
Python
gpl-3.0
5,106
[ "DIRAC" ]
161390dd61ae81b293fa1a9b0986055f2d1a46aee7164dfb7bdb757bd067a1ea
######################################################################## # # (C) 2015, Chris Houseknecht <chouse@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 Fo...
thaim/ansible
lib/ansible/galaxy/token.py
Python
mit
5,634
[ "Galaxy" ]
083f0b0dbd4cad9d8e564b0e3afaa8b3198d5c38a046c2a8eea058e8ba99d86f
""" A vtkTkImageViewerWidget for python, which is based on the vtkTkImageWindowWidget. Specify double=1 to get a double-buffered window. Created by David Gobbi, Nov 1999 """ from __future__ import absolute_import import math, os, sys import vtk if sys.hexversion < 0x03000000: # for Python2 import Tkinter as...
mspark93/VTK
Wrapping/Python/vtk/tk/vtkTkImageViewerWidget.py
Python
bsd-3-clause
11,101
[ "VTK" ]
794187766551c47b812211b541357dc65be91541e3c9ffff8acdb33e3cc4f870
# -*- coding: utf-8 -*- """ Build the scaffold PDB to be used as the basis of the final parameterized model. Also need to store data about regions to be completed. 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 ...
madscatt/zazzie
src_2.7/sassie/build/pdbrx/pdbrx/scaffold_builder.py
Python
gpl-3.0
23,423
[ "CHARMM" ]
f3d036d3131422173e47b83822417811a30d24b125f6821703abe251c16ca57e
""" # Notes: - This simulation seeks to emulate the COBAHH benchmark simulations of (Brette et al. 2007) using the Brian2 simulator for speed benchmark comparison to DynaSim. However, this simulation does NOT include synapses, for better comparison to Figure 5 of (Goodman and Brette, 2008) - although it uses the...
asoplata/dynasim-benchmark-brette-2007
output/Brian2/brian2_benchmark_COBAHH_nosyn_0064/brian2_benchmark_COBAHH_nosyn_0064.py
Python
gpl-3.0
3,344
[ "Brian" ]
4f8f38af7bc259af61bea4510de47658803feb726bde13a5c4cf608a28144209
__all__ = ["pdb2permList"] def pdb2permList(pdbfname): """ Create permutation groups from an Amber pdb file Adapted from svn/SCRIPTS/make_perm.allow/perm-py.pdb Input: pdb file name - with terminal residues start with 'N' or 'C' e.g. ALA -> 'NALA...
kjs73/pele
pele/amber/obsolete/pdb2permlist.py
Python
gpl-3.0
44,564
[ "Amber", "CHARMM", "OpenMM" ]
43be38ffb38176718aa7cebe1d32554b32514818a12fff2b24ac0d40bbacc3a9
"""Concatenate conformers from each SDF file in directory into one SDF file. Author: Seth Axen E-mail: seth.axen@gmail.com """ import sys import os import glob import rdkit import rdkit.Chem from python_utilities.io_tools import smart_open from e3fp.conformer.util import mol_from_sdf FIRST = 3 def mol_conf_id_fro...
keiserlab/e3fp-paper
project/fingerprint_comparison/sdf_files_to_file.py
Python
lgpl-3.0
1,686
[ "RDKit" ]
d408828d14ac656439f84231cfbe588722e05409773c699748f24fc0768acb82
# -*- coding: utf-8 -*- """Deletion functions to supplement :mod:`pybel.struct.mutation.deletion`.""" from typing import Iterable, Tuple from pybel import BELGraph from pybel.dsl import BaseEntity from pybel.struct.pipeline import in_place_transformation from ..summary.edge_summary import pair_is_consistent __all__...
pybel/pybel-tools
src/pybel_tools/mutation/deletion.py
Python
mit
1,029
[ "Pybel" ]
31d1887166d0444b857d568f1a866aaab6de1577aa86392cf1d1435e0a5550df
#!/usr/bin/env python """ Verify all subtests contain required minimum sections, ini's doc all options """ import os import re import sys import docutils.nodes from dockertest.documentation import SubtestDoc from dockertest.documentation import PretestDoc from dockertest.documentation import IntratestDoc from dockertes...
luwensu/autotest-docker
run_checkdocs.py
Python
gpl-2.0
9,931
[ "VisIt" ]
de246a9a6d101e42c5a98d6afd23e9442161656f61879713bc42b371d1206d85
import json import os import unittest import datetime import time from botocore.exceptions import ClientError from envs import env from kev import (Document,CharProperty,DateTimeProperty, DateProperty,BooleanProperty,IntegerProperty, FloatProperty) from kev.exceptions import QueryErr...
kevproject/kev
kev/tests/documents.py
Python
gpl-3.0
15,007
[ "Brian" ]
1c14ea963de6893a1fe07d10c129f57640949504b35f3446a65c1072a467a769
try: paraview.simple except: from paraview.simple import * from paraview import coprocessing #-------------------------------------------------------------- # Code generated from cpstate.py to create the CoProcessor. # ----------------------- CoProcessor definition ----------------------- def CreateCoProcessor():...
acbauer/miniFE-2.0_ref_Catalyst
src/gridwriter.py
Python
lgpl-3.0
3,963
[ "ParaView" ]
b567856414c5b74cdf42fe38b99f5da24a9df562d8e12e9929b289d22e7e4fa9
""" Functions to visualize an Experiment. """ from __future__ import print_function import math import sys from past.builtins import xrange from hyperopt.mongoexp import MongoJobs try: unicode = unicode except NameError: basestring = (str, bytes) else: basestring = basestring # -- don't import this here be...
denik/vwoptimize
vwoptimizelib/third_party/hyperopt/plotting.py
Python
mit
20,590
[ "Gaussian" ]
51e77a8b526609db45d437c0be6452b3b430bbaf80a885611de7cf1db23883db
"""Bravais.py - class for generating Bravais lattices etc. This is a base class for numerous classes setting up pieces of crystal. """ import math import numpy as np from ase.atoms import Atoms import ase.data class Bravais: """Bravais lattice factory. This is a base class for the objects producing various ...
freephys/python_ase
ase/lattice/bravais.py
Python
gpl-3.0
18,212
[ "ASE", "CRYSTAL" ]
013edfaedf1cf1259900ff9a6f1f94dc12b362aaf11957da0e8a0faa1effb0cb
#!/usr/bin/env python # for tgi cluster: #/gapp/x64linux/opt/pythonbrew/venvs/Python-2.7.6/gemini/bin/python # for uva cluster: import pysam import sys import argparse from argparse import RawTextHelpFormatter import string from string import * __author__ = "Ira Hall (ihall@genome.wustl.edu) and Colby Chiang (cc2qe@...
cc2qe/bamkit
bamtofastq.py
Python
mit
6,859
[ "BWA", "pysam" ]
f85ee14022477d1fd21fc8d17b19e890160e6f32ebb287a3e55cb34c64c4ff46
# context.py - changeset and file context objects for mercurial # # Copyright 2006, 2007 Matt Mackall <mpm@selenic.com> # # This software may be used and distributed according to the terms of the # GNU General Public License version 2 or any later version. from node import nullid, nullrev, short, hex, bin from i18n im...
iaddict/mercurial.rb
vendor/mercurial/mercurial/context.py
Python
mit
45,249
[ "VisIt" ]
aa62df4bd5177dc8a8e5eda2a0b6ba97f6b55fa99d9e814327d1def85162371d
from Bio.Blast.Applications import NcbiblastnCommandline from Bio import SeqIO import StringIO import os.path import glob import re fasta_in_dir = '' # directory of fasta files to check fasta_out_dir = '' # directory to save hits fasta too blast_db = '' # repbase local blast db file_hits_file = 'te_file_hits.csv' # ...
lcoghill/transeeker
transeeker.py
Python
bsd-3-clause
3,382
[ "BLAST" ]
ad90117a45fb506659c577176a0cc2af1aa65982f2bc54b6e12f214d8af51b59
"""Structural variation detection for split and paired reads using lumpy. Uses lumpyexpress for lumpy integration and samblaster for read preparation: https://github.com/GregoryFaust/samblaster https://github.com/arq5x/lumpy-sv """ import contextlib import os import sys import shutil import vcf from bcbio import uti...
biocyberman/bcbio-nextgen
bcbio/structural/lumpy.py
Python
mit
13,358
[ "BWA" ]
97459da8be230dc6f724795fa8317eb788a11d2783ee4c645398043c488773b9
branding = { "toolsName" : "Citrix XenServer Tools", "installerProductName" : "Citrix XenServer Tools Installer", "manufacturer" : "Citrix", "installerKeyWords" : "Citrix XenServer Windows Installer", "shortTools" : "XenTools", "installerServiceName" : "Citrix Xen...
xenserver/win-xenguestagent
src/branding/branding.py
Python
bsd-2-clause
7,258
[ "VMD" ]
8f576a6a50c7ba76044f19581f9ac8c513e5fcb2ffc13972d9f558e03497a193
""" ex20170225_Model_REG.py Build Model REG from Godley & Lavoie (Chapter 6) Uses the model builder from the sfc_models.gl_book sub-package. Copyright 2017 Brian Romanchuk 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 ...
brianr747/SFC_models
sfc_models/examples/scripts/ex20170225_Model_REG.py
Python
apache-2.0
1,795
[ "Brian" ]
2cf44cb1c64b72ecb6737b51b844707b15d51a51e5869d2911a1e80cef88df8c
""" Tools for spike train analysis Includes an object class, SpikingEvent, that is useful for detecting and analyzing firing events within a spike raster. Also provides functions for binning spike times into a histogram (`binspikes`) and a function for smoothing a histogram into a firing rate (`estfr`) """ import sys ...
baccuslab/pyret
pyret/spiketools.py
Python
mit
10,135
[ "Gaussian" ]
cb830d637a8eb462d296afb8078a1e40c61d4714431edde31808674df51ab564
"""Test the JobInfo""" import unittest import sys from StringIO import StringIO from mock import MagicMock as Mock from parameterized import parameterized, param from DIRAC import S_OK, S_ERROR, gLogger import DIRAC from DIRAC.TransformationSystem.Utilities.JobInfo import TaskInfoException, JobInfo import DIRAC.In...
andresailer/DIRAC
TransformationSystem/test/Test_JobInfo.py
Python
gpl-3.0
26,303
[ "DIRAC" ]
556cbee3336e2eed5b3f511a00035e404aca35f1410c1ccd0c873cc8d8c798ce
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkGenericDataSetTessellator(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, ...
nagyistoce/devide
modules/vtk_basic/vtkGenericDataSetTessellator.py
Python
bsd-3-clause
525
[ "VTK" ]
05757b4d75aa1f2fb8d4b0131afeb520e66f1243f6e10143493ebf72ce7ad76e
# Copyright (C) 2014 Bernd Feige # This file is part of avg_q and released under the GPL v3 (see avg_q/COPYING). '''DC-Correct a continuous file by sampling and subtracting a low-frequency representation. DC_Correct_Script must be set up complete with Epochsource etc, possibly transform methods, but without coll...
berndf/avg_q
python/avg_q/DC_Correct.py
Python
gpl-3.0
4,274
[ "Gaussian" ]
000bc28d66d2d4dec2f3b6e5d7e346d2be4abf20c1b78915f925b98378b09ff4
""" Aravind Veerappan BNFO 601 - Exam 2 Question 2. Protein BLAST """ import math from PAM import PAM class BLAST(object): FORWARD = 1 # These are class variables shared by all instances of the BLAST class BACKWARD = -1 ROW = (0, 1) COLUMN = (1, 0) def __init__(self, query=None,...
aravindvrm/bnfo
Veerappan_bnfo601_exam2/Veerappan_BLAST_prot.py
Python
mit
19,404
[ "BLAST" ]
0909d215565db6748e50e99559262432ef041c82d4bd3be1da203287bb9b3832
import json import logging import random import geometry3d as g3d from math import exp, pi, sqrt, sin, cos logger = logging.getLogger() logger.setLevel(logging.INFO) logger.info('Loading function') # extract position from a particle set def get_position(p): x = 0.0 y = 0.0 z = 0.0 orientation = 0....
andreynech/robobrain
pyparticle/montecarlo.py
Python
mit
5,110
[ "Gaussian" ]
5755c0baf9bf603e24a6f65dae4b4581194aa4f9ee2b1ddef842b4041b3427d5
# Copyright (c) 2012 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. '''Collections of messages and their translations, called cliques. Also collections of cliques (uber-cliques). ''' from __future__ import print_functio...
ric2b/Vivaldi-browser
chromium/tools/grit/grit/clique.py
Python
bsd-3-clause
18,821
[ "xTB" ]
ac57a1f6e2117700439d6f44de70e0ef60abb2b81f9f5b537896c6fb7f4153b7
# retroviralMapping.py # 1/8/14 # Retroviral_mapping.ipynb, in script form import sys, os, re, cmath, math, glob, subprocess, csv, matplotlib, argparse import numpy as np import matplotlib.pyplot as plt from matplotlib.backends.backend_pdf import PdfPages import pandas as pd matplotlib.rcParams['savefig.dp...
enguy/FAST-iCLIP
retroviralMapping.py
Python
gpl-2.0
9,133
[ "Bowtie" ]
a77a7acd2f40952a20b3ef5bfe1cefea1cb9ac00ada9444b999fe5e62d85d9da
""" Created on 01.06.2015 @author: Andreea Plocon andreea.plocon@geo.tuwien.ac.at """ import os import netCDF4 from datetime import datetime def netcdf_results_manager(results, save_path): """ Function for writing the results of the validation process as NetCDF file. Parameters ---------- resul...
christophreimer/pytesmo
pytesmo/validation_framework/results_manager.py
Python
bsd-3-clause
1,472
[ "NetCDF" ]
adf5f383272c8739da4021b8c7d8686400efef957d950cd30a8d5159a69f6ee0
import wx import wx.grid import wx.lib.scrolledpanel import os import os.path import platform from tools import * import webbrowser from threading import Thread class SuperimpositionPanel(wx.lib.scrolledpanel.ScrolledPanel): def __init__(self, parent, W, H): #if (platform.system() == "Windows"): wx...
schenc3/InteractiveROSETTA
InteractiveROSETTA/scripts/superimposition.py
Python
gpl-2.0
19,855
[ "PyMOL" ]
f023687db3f75b818dbc293a4302f1359be3536c3a016cd951788605609c064e
from QC import * from Numeric import * from IPAF import IPAF from Upset import * from Visualization.Avatars.RasMol import * from Setup.Dislocation.Screw import Screw pot = EMTPotential() a = pot.GetLatticeConstant() b = a / sqrt(2) h = b * sqrt(3) / 2 h3 = a / sqrt(3) D = array((0.0, 0.0, 0.0)) A = array((h / 3, h3, b...
auag92/n2dm
Asap-3.8.4/Examples/qcscrew.py
Python
mit
1,202
[ "RasMol" ]
31331521eb95e310600bedb50d217b0e416dc80433fdf834822cf158cde7b41f
from pycket.util import snake_case from rpython.rlib import jit, objectmodel class Visitable(type): def __new__(cls, name, bases, dct): visit_method_name = "visit_" + snake_case(name) @objectmodel.specialize.argtype(1) def dispatch_visitor(self, visitor, *args): return getattr(...
magnusmorton/pycket
pycket/AST.py
Python
mit
4,629
[ "VisIt" ]
b096fb149c087796a4f47d9d8c9ff52b73b6596eede470552e9c8804d6ca1301
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- https://www.mdanalysis.org # Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under t...
MDAnalysis/mdanalysis
package/MDAnalysis/coordinates/TRR.py
Python
gpl-2.0
6,721
[ "Gromacs", "MDAnalysis" ]
d314d46e55d5a968f469e2276b94dfe08646bd49b074f8dfe243b1ac2f62ca93
#!/usr/bin/env python """ Get relative energy of the system of DIR w.r.t. the energies ERG. There must be erg.ref and POSCAR in the DIR. Relative energy of the system and that per atom will be printed. Usage: get_relative_energy.py [options] DIR Options: -h, --help Show this message and exit. --specorder=SPECO...
ryokbys/nap
nappy/fitpot/get_relative_energy.py
Python
mit
1,463
[ "ASE", "VASP" ]
bc8f99bf36b28a7de5717bced7e2de035bc226150619c128fb8cb8030f17d1bb
# -*- coding: utf-8 -*- """This module tests various ways how to set up the provisioning using the provisioning dialog.""" from datetime import datetime, timedelta import fauxfactory import pytest import re from widgetastic.utils import partial_match from widgetastic_patternfly import CheckableBootstrapTreeview as CbT...
lkhomenk/integration_tests
cfme/tests/infrastructure/test_provisioning_dialog.py
Python
gpl-2.0
11,543
[ "VisIt" ]
8f459e51a86a843e0f9bd147145c540bc49016878a6780fdb32426f731fadc97
"""Translation of the BioNetGen example "egfr_simple" from the BNG wiki. added delete_molecules=True to egfr_dimer_degrade to conserve adapter proteins http://bionetgen.org/index.php/Egfr_simple """ from __future__ import print_function from pysb import * Model() Parameter('NA', 6.02e23) # Avogadro's number (mol...
AMICI-developer/AMICI
python/tests/pysb_test_models/bngwiki_egfr_simple_deletemolecules.py
Python
bsd-2-clause
3,398
[ "Avogadro" ]
b8504ec07bd3989b1d78ce0bb653aeccc16a336be297571e7d2077627445547a
import os import time import DIRAC import threading from DIRAC import gConfig, gLogger, S_OK, S_ERROR, gMonitor from DIRAC.Core.Utilities import List, Time, MemStat from DIRAC.Core.DISET.private.LockManager import LockManager from DIRAC.FrameworkSystem.Client.MonitoringClient import MonitoringClient from DIRAC.Core.DI...
miloszz/DIRAC
Core/DISET/private/Service.py
Python
gpl-3.0
23,470
[ "DIRAC" ]
7effa33db795ebdadc4a4a1a2cbf815b6584495115fd4d84ae375768b088ee17
# 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 # # Unless required by appl...
gkc1000/pyscf
pyscf/nao/test/test_0029_lil_vs_coo_nao.py
Python
apache-2.0
1,081
[ "PySCF" ]
0c76ad75bfe4fb676bc440078f5376b10b6b8e89a43a1efcdaaea16c2b7aad48
import os import urllib.parse import requests import splinter from selenium.webdriver.common.by import By from selenium.webdriver.support.wait import WebDriverWait from selenium.webdriver.support import expected_conditions as EC from tests.common.utils import urljoin class Browser(object): '''Drives the browser in...
miurahr/seahub
tests/ui/driver.py
Python
apache-2.0
2,791
[ "VisIt" ]
32e6463fc42983f06965e61a6d134dec1fdd623119031eff6911243ac088291c
import sys from ase.build import molecule, fcc111, add_adsorbate from ase.optimize import QuasiNewton from ase.constraints import FixAtoms from ase.calculators.emt import EMT from ase.vibrations import Vibrations sys.path.append("..") from __init__ import AnharmonicModes slab = fcc111('Au', size=(2, 2, 2), vacuum=4...
keldLundgaard/ase-anharmonics
tests/test_vib_and_trans.py
Python
lgpl-2.1
1,016
[ "ASE" ]
fecb61c2c1bdee5b62f00b645146434a26425907beb2a84dd59f959f12ac9355
#!/usr/bin/env python """ Map2KO Genome library Handle a KO search on a local machine (Blast-BBH) or online (KAAS) """ from Bio import SeqIO from ductape.common.commonmultiprocess import CommonMultiProcess from ductape.common.utils import slice_it from ductape.genome.blast import Blaster, RunBBH import sys if sys.ver...
combogenomics/DuctApe
ductape/genome/map2KO.py
Python
bsd-2-clause
12,228
[ "BLAST" ]
d8b55943bdeeea533c7c2f86f44982583acfaae9723c1b27e62bc6c6159a484e
#!/usr/bin/env python from gpaw.atom.configurations import configurations import os import numpy as np import matplotlib.pyplot as plt econf_strs={ 'He':'1s', 'Ne':'1s2s2p', 'Ar':'1s2s2p3s3p', 'Kr':'1s2s2p3s3p3d4s4p', 'Xe':'1s2s2p3s3p3d4s4p4d5s5p', 'Rn':'1s2s2p3s3p3d4s4p4d4f5s5p5d6s6p' } def ...
mailhexu/pyDFTutils
pyDFTutils/pseudopotential/gen_pp.py
Python
lgpl-3.0
7,507
[ "GPAW" ]
a1515eb66f23c278510f9d5527e9b00c20b5f53f0400102ecfa622784a8bc7d1
from discord.ext import commands import time class Information(): def __init__(self, hermes): self.hermes = hermes @commands.command() async def website(self): await self.hermes.say("You can find our official website @ https://hermes.apticode.co.uk") @commands.command() ...
Apticode/hermes.py
cogs/information.py
Python
gpl-3.0
1,136
[ "VisIt" ]
80472ab18b10669a3fce51ba65e0b151aa84cd72b05d7b93831a8902dcb13cf7
#!/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/x2c/sfx2c1e_grad.py
Python
apache-2.0
10,160
[ "PySCF" ]
ff040f6557a8927ec6f4d8878f29ae786433be0363c6e7c1989459cf7dfd280f
# coding=utf-8 from __future__ import unicode_literals try: from json import JSONDecodeError as MyJSONDecodeError except ImportError: MyJSONDecodeError = Exception """ 在 Py3 下是 json.JSONDecodeError。 在 Py2 下是 BaseException,因为 Py2 的 json 模块没有提供解析异常。 """ __all__ = [ # warnings 'ZhihuWar...
lbc001/zhihu-oauth
zhihu_oauth/exception.py
Python
mit
5,519
[ "VisIt" ]
ee946122039d0d003df4c32cc4a6d64857adb628c0daabdece19751b558c6529
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
harterj/moose
test/tests/multiapps/picard_multilevel/multilevel_dt_rejection/test_multilevel.py
Python
lgpl-2.1
1,313
[ "MOOSE" ]
26dca41d4d7f045d4fc77b699b377397dd4abc447f6e70255084c82e1dab7a37
# c: 07.05.2007, r: 25.06.2008 from sfepy import data_dir filename_mesh = data_dir + '/meshes/2d/special/circle_in_square.mesh' dim = 2 field_1 = { 'name' : 'a_harmonic_field', 'dtype' : 'real', 'shape' : 'scalar', 'region' : 'Omega', 'approx_order' : 1, } variables = { 't': ('unknown field'...
RexFuzzle/sfepy
tests/test_msm_laplace.py
Python
bsd-3-clause
4,418
[ "VTK" ]
c4bc9f8911da60fcbd9696fa19da2460f0f77c70bbd8e58ce61a2bb094eca19b
"""Class to access NCBI's ftp server and easily download databases.""" # Standard Library import os import re import shutil import gzip import tarfile from time import time from pathlib import Path from datetime import datetime from multiprocessing.pool import ThreadPool from ftplib import error_perm, all_errors # Orth...
datasnakes/Datasnakes-Scripts
OrthoEvol/Tools/ftp/ncbiftp.py
Python
mit
17,903
[ "BLAST" ]
4d28e0a63485b2dfdba2d424f38af0353e6f3f1fbda0e788f3baa4db4197985b
#!/usr/bin/env python # Copyright (c) 2012 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. # Copyright (C) 2008 Evan Martin <martine@danga.com> """A git-command for integrating reviews on Rietveld.""" import datetime fro...
cybertk/depot_tools
git_cl.py
Python
bsd-3-clause
92,483
[ "VisIt" ]
b9061f75e0830b824d0c7b70afca5277a9aeeb31f98519dcab073068b167480f
#!/usr/bin/env python # -*- coding: utf-8 -*- # # Copyright (c) 2016, Shogun Toolbox Foundation # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # 1. Redistributions of source code must retain the...
cfjhallgren/shogun
setup.py
Python
gpl-3.0
10,571
[ "Gaussian" ]
5223ef5b165b467a538aefbce619bc2d036dd02b224ae7cb2299b31cfa19a0d7
''' TransferCommand module ''' __RCSID__ = '$Id$' from datetime import datetime, timedelta from DIRAC import S_OK, S_ERROR from DIRAC.AccountingSystem.Client.ReportsClient import ReportsClient from DIRAC.Core.DISET.RPCClient import RPCClient from DIRAC.ResourceStatusSystem.Client.ResourceManagementClient import Res...
arrabito/DIRAC
ResourceStatusSystem/Command/TransferCommand.py
Python
gpl-3.0
7,245
[ "DIRAC" ]
3a94197df607dc2e5d30cbad33f620b13ec73e90ce46131ffe7671b99aee716b
import sys import time import signal import numpy as np from asap3.Tools.ParameterOptimization.ScipyFmin import fmin, fmin_bfgs from asap3.Tools.ElasticConstants import ElasticConstants, minimize_unit_cell from asap3.Tools.SurfaceEnergies import SurfaceEnergy from asap3.Tools.AtomicEnergies import CohesiveEnergy, Vaca...
auag92/n2dm
Asap-3.8.4/Python/asap3/Tools/ParameterOptimization/Quantities.py
Python
mit
33,900
[ "ASE" ]
320a8c3b6b64dcb88bfbddec7913a0f9b167b38e2721c7e41f2f4387cd46c0f1
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2018 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
amjames/psi4
psi4/driver/util/tty/color.py
Python
lgpl-3.0
7,149
[ "Psi4" ]
05a42fbbdaf53ee980c447ff2401303172f3bb48e6b9aeff59d427ec10933f94
""" Bok choy acceptance and a11y tests for problem types in the LMS """ import random import textwrap from abc import ABCMeta, abstractmethod import ddt import six from bok_choy.promise import BrokenPromise from capa.tests.response_xml_factory import ( AnnotationResponseXMLFactory, ChoiceResponseXMLFactory,...
stvstnfrd/edx-platform
common/test/acceptance/tests/lms/test_problem_types.py
Python
agpl-3.0
34,846
[ "VisIt" ]
f66795eef9c861bc4e8489b5859b9faa37c9ed18319dd59a938c9e031aef313d
#!/usr/bin/env python #Original script from /home/james/work/encode/feature_partitions/split_by_partitions.py #Usage: python(2.4) split_by_partitions.py partition_index in_file out_file chrCol startCol endCol strandCol from __future__ import division import sys from galaxy import eggs import pkg_resources; pkg_resou...
dbcls/dbcls-galaxy
tools/encode/split_by_partitions.py
Python
mit
4,509
[ "Galaxy" ]
881d6cdcfbd44b90f7221253aca7968a052bad7f3c4f43772e8882a76c985e68
######################################################################## # $HeadURL$ # File : SSHComputingElement.py # Author : Dumitru Laurentiu, A.T. ######################################################################## """ SSH (Virtual) Computing Element: For a given IP/host it will send jobs directly through ...
avedaee/DIRAC
Resources/Computing/SSHComputingElement.py
Python
gpl-3.0
24,289
[ "DIRAC" ]
c834d9ee746531213891aef96107d78ce55ea36f52af4a6586347b641c4bacee
#!/usr/bin/env python # -*- coding: utf-8 -*- # ######################################################################### # Copyright (c) 2020, UChicago Argonne, LLC. All rights reserved. # # # # Copyright 2020. UChicago Argonne, LLC. This ...
lucarebuffi/OASYS1
oasys/widgets/abstract/error_profile/abstract_multiple_height_profile_simulator_T.py
Python
gpl-3.0
38,252
[ "Gaussian" ]
151272cd5fc79958d3d85b99f1f70bc1c7a15b6f51c60532e06b0c16bbbea289
# Copyright 2011 the Melange authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in wr...
rhyolight/nupic.son
app/soc/views/helper/access_checker.py
Python
apache-2.0
25,400
[ "VisIt" ]
40cf29502e454866432d2046117371bed7eb64e1873aa389bc33a89ce700a24b
""" Accounting class to stores network metrics gathered by perfSONARs. Filled by "Accounting/Network" agent """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = "$Id$" from DIRAC.AccountingSystem.Client.Types.BaseAccountingType import BaseA...
yujikato/DIRAC
src/DIRAC/AccountingSystem/Client/Types/Network.py
Python
gpl-3.0
1,211
[ "DIRAC" ]
8943076b1e097237669c5c2c4bc850202c0d2fd60577df4e9c5348973138e1fa
# -*- coding:utf8 -*- # File : __init__.py # Author : Jiayuan Mao # Email : maojiayuan@gmail.com # Date : 2/23/17 # # This file is part of TensorArtist. # This file is part of NeuArtist2 from ..core.utils.nd import isndarray from .rng import * import random as _random import functools __all__ = ['get_rng', 're...
vacancy/TensorArtist
tartist/random/__init__.py
Python
mit
3,956
[ "Gaussian" ]
b122a8d57ed1a84c2c27d02fe34b7d332897b5626f312b1bb9450483e89cb1c3
#!/usr/bin/env python # qm.py -- A Quine McCluskey Python implementation # # Copyright (c) 2006-2013 Thomas Pircher <tehpeh@gmx.net> # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to # deal in the Software ...
jtanx/ImplicationTable
sequential-analysis/qm.py
Python
mit
20,952
[ "ESPResSo" ]
a659d96ebefbe623db7dbbf32c96d3df008a4112d9bd92fd7f225c9b4b2b14a1
#!/usr/bin/env python """ The Requester module is in charge of simplifying HTTP requests and automatically log HTTP transactions by calling the DB module. """ import sys import cgi import httplib import logging import urllib import urllib2 from framework.dependency_management.dependency_resolver import BaseComponent f...
DePierre/owtf
framework/http/requester.py
Python
bsd-3-clause
13,163
[ "VisIt" ]
d1a6fa090582b55c78046915350ee37c6cbfb98b34696571908297fde4e6d80e
#!/usr/bin/env python # Copyright (c) 2012 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. # Copyright (C) 2008 Evan Martin <martine@danga.com> """A git-command for integrating reviews on Rietveld.""" from distutils.vers...
coreos/depot_tools
git_cl.py
Python
bsd-3-clause
82,832
[ "VisIt" ]
3b8a6f9266f5b07cde7f1d44a6357d477789fa1123488a9fe39c9609071f6326
import numpy as np from numpy import linalg as LA from numpy.linalg import norm, inv import shutil, copy from sklearn.decomposition import PCA from scipy import spatial import matplotlib.path as mplPath import transforms3d from scipy.optimize import minimize import cPickle import os from ast import literal_eval as make...
mfxox/ILCC
ILCC/pcd_corners_est.py
Python
bsd-2-clause
35,494
[ "VTK" ]
0e379d4cefa42409d4f05f701d1d31e435e94853d48d0cac8658bc861074a717
# import openvoronoi as ovd # import ovdvtk # import time # import vtk # import datetime import math # import random # import os import gzip import pickle import numpy as np from numpy import numarray as na import pylab as P def sortedDict(adict): keys = adict.keys() keys.sort() l = [] for key in key...
aewallin/openvoronoi
python_examples/poisson/poisson_analyse.py
Python
lgpl-2.1
4,428
[ "VTK" ]
92829211539ef472898dcd04a82047bb04c31c71517d0b651b2e106a43b57281
"""Test fixtures.""" import copy import lxml import yaml import pytest from napalm.base.test import conftest as parent_conftest from napalm.base.test.double import BaseTestDouble from napalm.junos import junos from ncclient.devices.junos import JunosDeviceHandler @pytest.fixture(scope="class") def set_device_para...
spotify/napalm
test/junos/conftest.py
Python
apache-2.0
6,041
[ "Firefly" ]
dba697410f733944b33dbc3ad0782d279f8464ea334fde54fe509e4a1fa72514
# Mantid Repository : https://github.com/mantidproject/mantid # # Copyright &copy; 2018 ISIS Rutherford Appleton Laboratory UKRI, # NScD Oak Ridge National Laboratory, European Spallation Source # & Institut Laue - Langevin # SPDX - License - Identifier: GPL - 3.0 + #pylint: disable=no-init from __future__ impo...
mganeva/mantid
Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/TOSCABankCorrection.py
Python
gpl-3.0
9,207
[ "Gaussian" ]
882c1d756590e05d351b20e843ef390fd41978b1e7e5ec75c661f029241e94d9
#!/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/cc/eom_rccsd.py
Python
apache-2.0
84,201
[ "PySCF" ]
1310777f19c11397511d0b80769b05d468e8243ec6c5a9e65857a6415b19591d
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2007 Donald N. Allingham # Copyright (C) 2002 Gary Shao # Copyright (C) 2007 Brian G. Matherly # Copyright (C) 2009 Benny Malengier # Copyright (C) 2009 Gary Burton # # This program is free software; you can redistribute i...
pmghalvorsen/gramps_branch
gramps/gen/plug/docgen/fontstyle.py
Python
gpl-2.0
5,397
[ "Brian" ]
694b7a64a3781890db25b02d9ea3b1f2c0268f8a5ef69e8dadf3dc70028e373d
#!/usr/bin/env python3 # Version 1.1 # Author Alexis Blanchet-Cohen # Date: 09/06/2014 import argparse import glob import os import pandas import subprocess import util # Read the command line arguments. parser = argparse.ArgumentParser(description="Generates Picard tools MarkDuplicates scripts.") parser.add_argumen...
blancha/abcngspipelines
utils/markduplicates.py
Python
gpl-3.0
3,518
[ "BWA" ]
3fcf0f993cef2af897312abf52e0588c279d53cab94d4a6592f9902b5de79e7a
#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ GPLv3 license (ASTRA toolbox) Note that the TomoPhantom package is released under Apache License, Version 2.0 * Script to generate 3D analytical phantoms and their projection data using TomoPhantom * Projection data using OBJECT function is also generated numerically ...
dkazanc/TomoPhantom
Demos/Python/3D/ReconASTRA_object3D.py
Python
apache-2.0
3,964
[ "Gaussian" ]
54f6b72ac750d7fdd08d6f0d84986e7439b4a3f948245d03b8c70b2098ba67da
import pandas as pd import numpy as np def readElkOutput(filename): with open(filename) as fp: lines = fp.readlines() d = {} species = -1 atom = -1 nu = -1 l1 = -1 l2 = -1 k = -1 p = -1 r = -1 t = -1 for line in lines: words = line.split() if lin...
fthoele/tensormoments
tensormoments/io.py
Python
mit
2,750
[ "Elk", "VASP" ]
a55830554138955eceb20acc209555b82a47a1e7c74d5c06fb7563c9e130bb79
## ## \file addingEvidenceCodes_1.py ## \brief adds controlled vocabulary terms to a reaction in a model ## \author Sarah Keating ## ## This file is part of libSBML. Please visit http://sbml.org for more ## information about SBML, and the latest version of libSBML. ## import sys import os.path from libsbml ...
dilawar/moose-full
dependencies/libsbml-5.9.0/examples/python/addingEvidenceCodes_1.py
Python
gpl-2.0
1,661
[ "VisIt" ]
06026e8c4f94340983779b930c51aa516d7c7d9b56c2eb6b5d7dd2b8f4e6474b
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # migsftpbench - sample paramiko-based sftp client benchmark # Copyright (C) 2003-2015 The MiG Project lead by Brian Vinter # # This file is part of MiG. # # MiG is free software: you can redistribute it and/or modify # it under the terms of the GNU ...
heromod/migrid
mig/user/migsftpbench.py
Python
gpl-2.0
10,782
[ "Brian" ]
0b1ac98d9c6d9a3b54bb74a9e67dceb0383a4c77b1c87e9250301ed1ff955df6