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
from degas.gridding import gridGalaxy datadir='/mnt/bigdata/erosolow/surveys/DEGAS/' datadir = '/mnt/bigdata/erosolow/surveys/DEGAS/' ppo = False gridGalaxy(galaxy='IC0342', setup='12CO', release='QA0', datadir=datadir, PostprocOnly=ppo) gallist = ['IC0342', 'NGC0337', 'NG...
low-sky/degas
degas/examples/gridgals.py
Python
gpl-3.0
3,461
[ "Galaxy" ]
82217dfb0a9f466161fba0552f2114fbd1c727fe84c7af203ef493493074d575
# coding=utf8 # # Copyright 2013 Dreamlab Onet.pl # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; # version 3.0. # This library is distributed in the hope that it will be useful, # bu...
tikan/rmock
src/rmock/runners/http/protocols/jsonrpc.py
Python
lgpl-3.0
2,257
[ "VisIt" ]
c5d477836ba13dc8df99b5138f4e92679efc41020f0fa0c1f25f41132c3e046e
# # @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 it and/or modify #...
psi4/psi4
psi4/driver/procrouting/solvent/__init__.py
Python
lgpl-3.0
1,057
[ "Psi4" ]
e145264a1ccbc0e51214e9b334f413cda8c33feb0a619aae68d1399f4ed4cd51
import sys import gobject import gtk import goocanvas import math import random import re, db_conf from phamerator_manage_db import * class PhamCircle: """a class for drawing phamily circles on a pygoocanvas""" def __init__(self, phamName, c,**kargs): """initializes circle center and radius""" p...
byuphamerator/phamerator-dev
phamerator/PhamDisplay.py
Python
gpl-2.0
24,040
[ "BLAST" ]
8590e617295d60c2919eb6286b388e96471674f399f335d3a9c9f9f535314de2
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import numpy as np from pymatgen.core.structure import Structure """ This module implements symmetry-related structure forms. """ __author__ = "Shyue Ping Ong" __copyright__ = "Copyright 2012, The Materials ...
dongsenfo/pymatgen
pymatgen/symmetry/structure.py
Python
mit
2,764
[ "pymatgen" ]
020f8a0765c94c7379f5c2e54b5d390dbbd4de46eeb7bd3631b86aafa904b759
""" Generate a hints database file from RNAseq/IsoSeq alignments for AugustusTMR/AugustusCGP. """ import collections import itertools import os import logging import pyfasta import pysam try: from toil.fileStores import FileID except ImportError: from toil.fileStore import FileID from toil.common import Toil ...
ComparativeGenomicsToolkit/Comparative-Annotation-Toolkit
cat/hints_db.py
Python
apache-2.0
23,705
[ "pysam" ]
ffd7e247e263807e723da1952632c8a2a42d79a93a7674b1d4aba6ece6c7051c
__author__ = 'Matteo' __doc__ = '''''' N = "\n" T = "\t" # N="<br/>" from Bio import SeqIO from Bio.Seq import Seq from Bio.SeqRecord import SeqRecord from Bio.Blast.Applications import NcbiblastnCommandline from Bio.Blast import NCBIXML import csv import math import re from difflib import Differ import itertools de...
matteoferla/Geobacillus
geo_prot_eq2.py
Python
gpl-2.0
2,897
[ "BLAST" ]
45f17d9f87d8d51627c31f8ac840fc6cc3b627eee71b553e0eebff00f32082d1
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2019 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
dgasmith/psi4
psi4/driver/util/__init__.py
Python
lgpl-3.0
913
[ "Psi4" ]
869f86b115eca439325f14c3aa410f42b787f358bd8b0e8ec63063094ad22d4c
# loadKineticModel.py --- # # Filename: loadKineticModel.py # Description: # Author: Upi Bhalla # Maintainer: # Created: Sat Oct 04 12:14:15 2014 (+0530) # Version: # Last-Updated: Tue Apr 18 17:40:00 2017(+0530) # By: # Update #: 0 # URL: # Keywords: # Compatibility: # # # Commentary: # # # # # Change ...
BhallaLab/moose-examples
snippets/loadKineticModel.py
Python
gpl-2.0
3,284
[ "MOOSE" ]
7de109b8ba6cff8d2440907c6e73af47d139a3a14fb639299fc76be6f3b467a6
""" :class:`ASE_OTF` is the on-the-fly training module for ASE, WITHOUT molecular dynamics engine. It needs to be used adjointly with ASE MD engine. """ import os import json import sys import inspect import pickle from time import time from copy import deepcopy import logging import numpy as np from flare.ase.npt i...
mir-group/flare
flare/ase/otf.py
Python
mit
14,797
[ "ASE", "ESPResSo", "LAMMPS", "VASP" ]
f81d24d0ee65efba37b975a438f4ae9f5634d857607fb769287b60262ef60091
""" Manipulate HTML or XHTML documents. Version 1.1.0. This source code has been placed in the public domain by Connelly Barnes. Features: - Translate HTML back and forth to data structures. This allows you to read and write HTML documents programmably, with much flexibility. - Extract and modify URLs in a...
mjhea0/feedzilla
feedzilla/util/htmldata.py
Python
bsd-3-clause
49,864
[ "CDK" ]
18012ccd4d037c5e1e0665a74d2afb80f32843c29ca1c68950ef3d9ac1d16563
# # Copyright (C) 2013-2019 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later...
espressomd/espresso
testsuite/python/langevin_thermostat.py
Python
gpl-3.0
8,806
[ "ESPResSo" ]
fcdf1cc6edb1d6d3a0e3aa7c19f23b323517c4b568537779258f4e90acf9ed32
#!/usr/bin/env python # filename: alignment.py # # Copyright (c) 2015 Bryan Briney # License: The MIT license (http://opensource.org/licenses/MIT) # # 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 Sof...
briney/abtools
abtools/alignment.py
Python
mit
33,992
[ "Biopython" ]
2d9df1ac615d7a322571bb0ccdec4f22fe26a5ffe421b65dcb8f80043a278730
#------------------------------------------------------------------------------- # Copyright (c) 2011, Kafti team # # Released under the MIT license. See the LICENSE file for details. #------------------------------------------------------------------------------- """ Visitor for collecting nasl scripts family statis...
kafti/pynasl
pynasl/visitors/statistic/scripts_family.py
Python
mit
3,741
[ "VisIt" ]
aef8d56a43ac473870aa2bef358fbb4df24e7eedf46f40d510492cdfba47b177
import numpy as np import ase from pyemto.utilities import distort, rotation_matrix from pyemto.examples.emto_input_generator import * from pymatgen import Lattice from ase.visualize import view from ase.build import cut, make_supercell import sys find_primitive = False make_supercell = None coords_are_cartesian = Tru...
hpleva/pyemto
example_projects/fcc_elastic_constants/input_scripts/equilibrium_volume/input.py
Python
mit
4,206
[ "ASE", "pymatgen" ]
bde7b44bdc45f7f0a16a9883e2693856a2c04df216f9fd38bbb198350d0842c2
from typing import Optional from urllib.parse import urlparse import click from click.exceptions import Exit from valohai_cli import __version__ from valohai_cli.api import APISession from valohai_cli.consts import default_app_host, yes_option from valohai_cli.exceptions import APIError from valohai_cli.messages impo...
valohai/valohai-cli
valohai_cli/commands/login.py
Python
mit
5,072
[ "VisIt" ]
e21124139497ac68c947e8721c9567d7745d5875beb5ae3127d302a03eb52e29
#!/usr/bin/env python # to run the script with the correct version of uvcdat: # source /usr/local/uvcdat/1.4.0/bin/setup_runtime.sh import cdms2 from cdms2 import MV2 import numpy import glob import sys import os from os import path import shutil import re import string import random import gc import logging import ...
IOC-CODE/esgf_ensemble_mean
ensemble_stats/bin/make_ensembleMean_tzyx.py
Python
gpl-2.0
25,104
[ "NetCDF" ]
0524452cdddf53c88057262494e78515625b5393afb752d731dacfd7611d2dd5
# (c) 2012, Michael DeHaan <michael.dehaan@gmail.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any lat...
t794104/ansible
lib/ansible/template/safe_eval.py
Python
gpl-3.0
5,339
[ "VisIt" ]
617a7f9cb7df209f30b1d5ff35b25bd02afec02f8470f683abff8372b64ef9a8
# encoding: utf-8 # Copyright (c) 2001-2016, Canal TP and/or its affiliates. All rights reserved. # # This file is part of Navitia, # the software to build cool stuff with public transport. # # Hope you'll enjoy and contribute to this project, # powered by Canal TP (www.canaltp.fr). # Help us simplify mobility...
Tisseo/navitia
source/jormungandr/jormungandr/realtime_schedule/siri.py
Python
agpl-3.0
8,180
[ "VisIt" ]
c10660650b57caa8930d1b40960fc2e83cdab0f8aef4995cee8b3cbd1bb14041
''' ``traverse`` statement parsing and evaluation. ''' import syntax import exp_parser from collections import deque from spidy.document import * from spidy.common import * from tokenizer import * from nodes import Node from nodes import NumberNode from skip_node import SkipNode # traverse ident in @path_string [mo...
AlexPereverzyev/spidy
spidy/language/traverse_node.py
Python
bsd-3-clause
7,985
[ "VisIt" ]
f86f50af50f77c72f1fd6cde222bd85bb5de55f72dd18890c505a5bd7e3be0b0
from ase import Atoms from gpaw import GPAW from gpaw.test import equal # Self-consistent calculation: a = 2.5 slab = Atoms('Li', cell=(a, a, 2 * a), pbc=1) slab.calc = GPAW(kpts=(3,3,1), txt='li.txt') slab.get_potential_energy() slab.calc.write('Li.gpw') # Gamma point: e1 = slab.calc.get_eigenvalues(kpt=0)[0] # Fi...
ajylee/gpaw-rtxs
gpaw/test/fixdensity.py
Python
gpl-3.0
869
[ "ASE", "GPAW" ]
8e27953ac1f1cce87326e8ecf9b06ce75352b94e7cfa79cc6966e6b9a1d6fd35
from gui.views.EMITView import EMITView from sprint import * from utilities import gui import wx from gui import events from coordinator.engineManager import Engine import coordinator.engineAccessors as engine from emitLogging import elog import threading from gui.controller.NetcdfCtrl import NetcdfCtrl from gui.contro...
Castronova/EMIT
gui/controller/EMITCtrl.py
Python
gpl-2.0
11,268
[ "NetCDF" ]
10f48d131c8d48c5da2e4185b49392c4145543525fe4016afe23ca567312a847
#!/usr/bin/env python3 # pylint: disable=line-too-long """ Various functions for annotating genomes. """ # System imports import pickle import shutil import os import tempfile import logging import subprocess import multiprocessing as mp from os import path, close, mkdir, listdir from enrichm.genome import Genome, Ann...
geronimp/enrichM
enrichm/annotate.py
Python
gpl-3.0
35,214
[ "BLAST" ]
55df7056270ef20e7bd4af9a1a065259cc8006b15f68b787086b0235d8477fef
""" Django module container for classes and operations related to the "Course Module" content type """ import logging from cStringIO import StringIO from math import exp from lxml import etree from path import path # NOTE (THK): Only used for detecting presence of syllabus import requests from datetime import datetime...
mtlchun/edx
common/lib/xmodule/xmodule/course_module.py
Python
agpl-3.0
53,923
[ "VisIt" ]
c7831ccd67298cd8fe97826a50d3e58609bdacec7b6eed3d6d6c9f58af0d99ce
# -*- coding: utf-8 -*- # test_gc.py --- # # Filename: test_gc.py # Description: # Author: Subhasis Ray # Maintainer: # Created: Mon May 19 10:25:13 2014 (+0530) # Version: # Last-Updated: # By: # Update #: 0 # URL: # Keywords: # Compatibility: # # # Commentary: # # # # # Change log: # # # # # This prog...
dharmasam9/moose-core
tests/python/test_gc.py
Python
gpl-3.0
3,698
[ "MOOSE" ]
37dbf4d0f807e5d40bb097e7ec7ac4e8ba0ccfad6173d704018703fdeaa8e2f8
# Copyright 2014 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. """WebsiteTest testing class.""" import logging import time from selenium.webdriver.common.action_chains import ActionChains from selenium.webdriver.common...
guorendong/iridium-browser-ubuntu
components/test/data/password_manager/automated_tests/websitetest.py
Python
bsd-3-clause
12,124
[ "VisIt" ]
27ea80fc18af8bfde3b91d208e944ed0a9463634cd2849f37f1dcef4572dec62
# -*- coding: utf-8 -*- # # hl_api_simulation.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 2 of the Licen...
jougs/nest-simulator
pynest/nest/lib/hl_api_simulation.py
Python
gpl-2.0
8,229
[ "NEURON" ]
f5dc283597b35a3353f2d603c6be8d40777f6eaa35bbf6b3a9f5ca94b60e1ca4
""" ====================================== Plotting sensor layouts of MEG systems ====================================== In this example, sensor layouts of different MEG systems are shown. """ # Author: Eric Larson <larson.eric.d@gmail.com> # # License: BSD (3-clause) import os.path as op from mayavi import mlab im...
nicproulx/mne-python
examples/visualization/plot_meg_sensors.py
Python
bsd-3-clause
1,910
[ "Mayavi" ]
808599606bed6f79c0320c5f7bcfa50796de28b97b2c01a7131ceb50160481cd
import sys from redux.assignmentdeclare import AssignmentScopeAnalyzer from redux.ast import BitfieldDefinition from redux.callinliner import CallInliner from redux.enuminliner import EnumInliner from redux.intrinsics import get_intrinsic_functions from redux.parser import parse from redux.stringinliner import StringIn...
Muon/redux
redux/codegenerator.py
Python
mit
7,154
[ "VisIt" ]
77c016d4b93074e3029a9b0416942b64abb03ea04d02e556119b9a93aab0bd1a
""" Acceptance tests for Studio related to the split_test module. """ import json import math from unittest import skip from nose.plugins.attrib import attr from selenium.webdriver.support.ui import Select from xmodule.partitions.partitions import Group from bok_choy.promise import Promise, EmptyPromise from ...fixt...
dkarakats/edx-platform
common/test/acceptance/tests/studio/test_studio_split_test.py
Python
agpl-3.0
46,739
[ "VisIt" ]
111c101c4d17365eb727fe88952ded36923e39b5037794ca27034a3331dec539
from argparse import * from sys import * from struct import * from os.path import * from paraview.simple import * from paraview.servermanager import * parser = ArgumentParser(description = 'Process the arguments') parser.add_argument('vtkFilePrefix', help = 'Path to the VTK file before the frame index') parser.add_argu...
fercook/SciViz
Voxels/NETCDF_2_VTK_2_Blender/job/bvox/paraview/VTKVoxel2BVOX_prolog.py
Python
gpl-2.0
5,497
[ "ParaView", "VTK" ]
2ad14b79f559c04d737931cfd555f8fd40511ea735c19e1f8d3be9deae3acae0
# -*- coding: utf-8 -*- # # test_refractory.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 2 of the License...
mschmidt87/nest-simulator
pynest/nest/tests/test_refractory.py
Python
gpl-2.0
8,419
[ "NEURON" ]
b523d1efddd1cff25b1f29882dc90c9d94c08f01473bc5b5260f79cddaf599e3
# A simple HTTP server implemented using h11 and Trio: # http://trio.readthedocs.io/en/latest/index.html # (so requires python 3.5+). # # All requests get echoed back a JSON document containing information about # the request. # # This is a rather involved example, since it attempts to both be # fully-HTTP-compliant ...
python-hyper/h11
examples/trio-server.py
Python
mit
13,993
[ "VisIt" ]
c37a2a8c22a4afcf5f19ee5a9c182fb87f86575b58456e4690d3b073b2727b64
#!/usr/bin/env python ############################################################################### # # pytableaucreate - Python implementation of protein Tableau creator # # File: pytableaucreate.py # Author: Alex Stivala # Created: February 2008 # # $Id: pytableaucreate.py 4291 2012-08-09 23:43:39Z astivala $ #...
NirBenTalLab/proorigami-ptgraph
pytableaucreate.py
Python
mit
24,326
[ "Biopython" ]
5fd27c760569449ed099a294f2f65bdef3998007b11a5ed24bdd54f4794c4e4d
import enum import struct class SpecialSectionNumber(enum.IntEnum): UNDEFINED = 0 ABSOLUTE = -1 DEBUG = -2 class StorageClass(enum.IntEnum): END_OF_FUNCTION = -1 NULL = 0 AUTOMATIC = 1 EXTERNAL = 2 STATIC = 3 REGISTER = 4 EXTERNAL_DEF = 5 LABEL = 6 UNDEFINED_LABEL = 7...
d3dave/cough
cough/symbol.py
Python
mit
1,935
[ "MOE" ]
37c23a489ea0d683e78cdfd858f5be16bca3ece3678165479e911c5b9171971d
#!/usr/bin/env python # # Restriction Analysis Libraries. # Copyright (C) 2004. Frederic Sohm. # # 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 script is used to produce the dict...
updownlife/multipleK
dependencies/biopython-1.65/Scripts/Restriction/ranacompiler.py
Python
gpl-2.0
39,012
[ "Biopython" ]
afbd3f0a644e4358579ae8053660e00a35a90bde0a4cf92d0ae20d816bcf9814
"""Performance comparison between the Tensor / Numba implementations.""" import json with open("../../paper.json", 'r') as f: cfg = json.load(f) # noqa import numpy as np import pandas as pd from time import time as tst from tensorpac.signals import pac_signals_wavelet from tensorpac import Pac from tensorpac.spectr...
EtienneCmb/tensorpac
paper/reviews/code/r2_numba_performance.py
Python
bsd-3-clause
3,659
[ "Gaussian" ]
c03a8052094b54019e135266d8316f2535b8887a2f41e2e13432faea51319134
from __future__ import annotations import http.server as server_base import json import logging import multiprocessing import sys import time import urllib.parse import libtbx.phil from cctbx import uctbx from dxtbx.model.experiment_list import ExperimentListFactory from libtbx.introspection import number_of_processo...
dials/dials
command_line/find_spots_server.py
Python
bsd-3-clause
13,148
[ "CRYSTAL" ]
b7a046c98ac38c4c98e8541c6abb1041443a7f3f7de9bb1d46b6889dab488d64
import matplotlib import matplotlib.gridspec as gridspec import pylab as plt from scipy.stats import gaussian_kde, norm from Pyheana.load.fit_data import * from Pyheana.load.load_data import * def plot_particles(x, y, z): plt.figure(figsize=(12,10)) # pdf2, bins2, patches = plt.hist(x[:,0], 100, histtype='s...
like2000/Pyheana
display/plot_particles.py
Python
gpl-2.0
5,332
[ "Mayavi" ]
e4510fe861deae8ae12bad9af177657160ed2cd04d671922b59dca5f3e7403a3
#!/usr/bin/python # -*- coding: utf-8 -*- """ Adds KO annotation to each gene ID that passes the specified thresholds (max. e-value, min. bitscore, min. identity) in the BLAST results file. Usage: annotate.py <file> <max log e-value> <min bitscore> <min identity> """ from config import * import sys import itertools fr...
pseudonymcp/keggmapping
annotate.py
Python
gpl-3.0
4,449
[ "BLAST" ]
6d6ab9749dd3bdde643bca4f236ddf937535134868e92a536b8a578976215890
""" Job control via a command line interface (e.g. qsub/qstat), possibly over a remote connection (e.g. ssh). """ import os import logging from galaxy import model from galaxy.jobs import JobDestination from galaxy.jobs.runners import AsynchronousJobState, AsynchronousJobRunner from .util.cli import CliInterface, spl...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/jobs/runners/cli.py
Python
gpl-3.0
10,834
[ "Galaxy" ]
17cf2376721eabb91e1ca26291b9cb7b566037029ab39fbce120daba4131da26
#!/usr/bin/env python3 # -*- coding: utf-8 -*- import argparse import csv import itertools import logging import os import shutil import sys import tempfile import numpy as np from pathlib import Path from shutil import which from collections import defaultdict from superfocus_app.do_alignment import align_reads, p...
metageni/SUPER-FOCUS
superfocus_app/superfocus.py
Python
gpl-3.0
16,374
[ "BLAST" ]
77c0dd1175117e441310a9db2020e05e2eb60aadfa0b97c0b33cd6f100d056f4
import ast import datetime import re import secrets import time from collections import defaultdict from datetime import timedelta from typing import ( AbstractSet, Any, Callable, DefaultDict, Dict, Iterable, List, Optional, Sequence, Set, Tuple, TypeVar, Union, ) im...
showell/zulip
zerver/models.py
Python
apache-2.0
130,376
[ "VisIt" ]
c8969092bee37da0d84957dcdfa49a907039a911e0ba4edf3d8e519cb8ce22b1
# Copyright 2010-2017, The University of Melbourne # Copyright 2010-2017, Brian May # # This file is part of Karaage. # # Karaage 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...
brianmay/karaage
karaage/plugins/kgapplications/urls.py
Python
gpl-3.0
2,686
[ "Brian" ]
7ea31a83ee69f81c340db3ea60464c5e094c5baa491cdc67b9c08a1225fabc49
import logging from cgi import escape import galaxy.util from galaxy import model from galaxy import web from galaxy import managers from galaxy.datatypes.data import nice_size from galaxy.model.item_attrs import UsesAnnotations, UsesItemRatings from galaxy.model.orm import and_, eagerload_all, func from galaxy import...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/webapps/galaxy/controllers/history.py
Python
gpl-3.0
78,352
[ "Galaxy" ]
882cd407fc209f6335b8a6126e91919c079da02eff9f24ce48d74f56f58397c7
#!/usr/bin/env python """ Scalars """ """ Copyright 2001 Pearu Peterson all rights reserved, Pearu Peterson <pearu@ioc.ee> Permission to use, modify, and distribute this software is given under the terms of the LGPL. See http://www.fsf.org NO WARRANTY IS EXPRESSED OR IMPLIED. USE AT YOUR OWN RI...
ddempsey/PyFEHM
pyvtk/Scalars.py
Python
lgpl-2.1
2,099
[ "VTK" ]
ba8dd8c79952f192c2cc232637448a34f1a5392c7163aa342f178f3bcd9f208e
# Copyright (C) 2016 # Jakub Krajniak (jkrajniak at gmail.com) # # This file is part of ChemLab # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (...
cgchemlab/chemlab
src/tests/test_reaction_parser.py
Python
gpl-3.0
2,211
[ "ESPResSo" ]
e2fdcb0685e12e5e8e3d705097aa7fbba350d4c55f654b3aa07eb28af08935b6
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007 Brian G. Matherly # Copyright (C) 2010 Nick Hall # Copyright (C) 2011 Tim G L Lyons # # 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 #...
sam-m888/gramps
gramps/gen/proxy/private.py
Python
gpl-2.0
41,102
[ "Brian" ]
2c173b8893df023abc1208667f1cafec788fb78a993c158bba02ad63a045337e
""" Copyright (C) 2014, Jaguar Land Rover This program is licensed under the terms and conditions of the Mozilla Public License, version 2.0. The full text of the Mozilla Public License is at https://www.mozilla.org/MPL/2.0/ Rudolf Streif (rstreif@jaguarlandrover.com) """ from django.contrib import admin from sec...
rstreif/rvi_backend
web/security/admin.py
Python
mpl-2.0
1,149
[ "Jaguar" ]
ac7a9d23cbaba4ef80766949c7adc2c7e43512e82a030a31218648b1634d245d
#!/usr/bin/env python3 # coding: utf-8 """ Subprogram that constitutes the first step of the Mikado pipeline. """ import sys import os import argparse import logging import logging.handlers from ._utils import check_log_settings_and_create_logger from ..configuration import MikadoConfiguration, DaijinConfiguration, p...
lucventurini/mikado
Mikado/subprograms/prepare.py
Python
lgpl-3.0
15,276
[ "pysam" ]
e049ff4b89dfe4a583224530c6fa1aedaf0a9eb3baf871c714fca90c68d05b4d
def visit_Call(self, node): """ The visit of a call node. Is an overwrite of Visit_Call ignoring all calls except for those we need to modify. :param node: A call node """ name = self.__find_call_name(node) if name in ATOMIC_SOURCES: id = self.__...
Betaboxguugi/P6
documentation/presentation/code/CallNode.py
Python
gpl-3.0
658
[ "VisIt" ]
e6d2e0bd2358bcbe7b2c0fe9eb976314f9eee159571f67b5dab9d7abf3bace5f
# -*- coding: utf-8 -*- ############################################################################# # SRWLIB Example: Virtual Beamline: a set of utilities and functions allowing to simulate # operation of an SR Beamline. # The standard use of this script is from command line, with some optional arguments, # e.g. for ...
mrakitin/sirepo
tests/template/srw_import_data/chx.py
Python
apache-2.0
32,265
[ "CRYSTAL" ]
06614c7e389d91736ead1e58960f747e88bb11986ef56b21779c9e3939f0c065
"""Factor Analysis. A latent linear variable model. FactorAnalysis is similar to probabilistic PCA implemented by PCA.score While PCA assumes Gaussian noise with the same variance for each feature, the FactorAnalysis model assumes different variances for each of them. This implementation is based on David Barber's B...
ashhher3/scikit-learn
sklearn/decomposition/factor_analysis.py
Python
bsd-3-clause
11,908
[ "Gaussian" ]
d2ae9dc1ae5da7c3629637ecdee28954770930e54f115edaf56ec04b0a06485f
# -*- coding: utf-8 -*- from __future__ import unicode_literals, division, absolute_import, print_function import logging import re import time from datetime import datetime, timedelta from builtins import * # pylint: disable=unused-import, redefined-builtin from dateutil.parser import parse as dateutil_parse from ...
qvazzler/Flexget
flexget/plugins/api_trakt.py
Python
mit
54,456
[ "VisIt" ]
7822269bd84f994cdc32ee550dbdd283ea74087710a8700097693235331afb6f
# -*- coding: utf-8 -*- # # gPrime - A web-based genealogy program # # Copyright (C) 2003-2005 Donald N. Allingham # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 Andrew I Baznikin # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General P...
sam-m888/gprime
gprime/plugins/rel/rel_da.py
Python
gpl-2.0
7,385
[ "Brian" ]
47f36e573f2244fc26259c692354817e67a7e8aaf90942f7a306fb634f5ddc80
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkImageGaussianSmooth(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, ...
nagyistoce/devide
modules/vtk_basic/vtkImageGaussianSmooth.py
Python
bsd-3-clause
501
[ "VTK" ]
d52d490cc7c00b0409c66cbd260dae950a279caa76e82d4f0f4d54aa849698a7
""" DIRAC.WorkloadManagementSystem.Agent package """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = "$Id$"
yujikato/DIRAC
src/DIRAC/WorkloadManagementSystem/Executor/Base/__init__.py
Python
gpl-3.0
185
[ "DIRAC" ]
cd9d6cb0c0bc5ffe9da2b423909b2b541740942b0d46b140898911ca5bb2032b
import numpy as np class GMM: """ Implements the expectation-maximisation (EM) algorithm for the Gaussian mixture model (GMM). The algorithm is based on the pseudo-code described in the book by C. Bishop "Pattern Recognition and Machine Learning", chapter 9. """ def __init__(self, ...
kubkon/gmm
gmm/algorithm.py
Python
mit
6,433
[ "Gaussian" ]
0a0cc7fdc0350182a8b8cf140b537e189c59974decb01679d04a60cdbd91c4aa
# # This source file is part of appleseed. # Visit http://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2016-2017 Esteban Tovagliari, The appleseedhq Organization # # Permission is hereby granted, free of charge, to any person obtainin...
aytekaman/appleseed
src/appleseed.python/test/testentitymap.py
Python
mit
4,820
[ "VisIt" ]
a041d11034328a00a9f71c20ea726ad4b88ea788311b17b8165ae875c23834cb
#!python #coding= latin-1 # This script implements the Double Metaphone algorythm (c) 1998, 1999 by Lawrence Philips # it was translated to Python from the C source written by Kevin Atkinson (http://aspell.net/metaphone/) # By Andrew Collins - January 12, 2007 who claims no rights to this work # http://atomboy.isa...
zedshaw/librelist
lib/metaphone.py
Python
agpl-3.0
14,779
[ "Brian" ]
0e971c6e9257d7425ca109ade8bfd3ec98d58368bf92ca2d1811f7558fc7c524
#!/usr/bin/env python # Python module for simulated annealing - anneal.py - v1.0 - 2 Sep 2009 # # Copyright (c) 2009, Richard J. Wagner <wagnerr@umich.edu> # # Permission to use, copy, modify, and/or distribute this software for any # purpose with or without fee is hereby granted, provided that the above # copyright ...
KevinNJ/Projects
Sallen Key Solver/anneal.py
Python
mit
13,636
[ "COLUMBUS", "VisIt" ]
73364631f50e7c0709a0b9f31fdd44753cafeb271547e2a1d103957e89381224
# emacs: -*- mode: python; py-indent-offset: 4; indent-tabs-mode: nil -*- # vi: set ft=python sts=4 ts=4 sw=4 et: """SPM wrappers for preprocessing data Change directory to provide relative paths for doctests >>> import os >>> filepath = os.path.dirname( os.path.realpath( __file__ ) ) >>> datadir = os.path...
dmordom/nipype
nipype/interfaces/spm/preprocess.py
Python
bsd-3-clause
68,149
[ "Gaussian" ]
c61af248891a3323b0cd2bf3b409c544f3ca6b6f5297a3f07f3f20b618097642
# 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/m_siesta_eig.py
Python
apache-2.0
872
[ "PySCF", "SIESTA" ]
61ddd51535d5d7d32f701cca7b3d8cba91a9fbcf0f79624aacc71fa2f87d9a72
#!/usr/bin/python3.4 # -*- coding: utf-8 -*- # vim:ts=4:sw=4:softtabstop=4:smarttab:expandtab # 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 ...
kdart/pycopia3
net/pycopia/http/useragents.py
Python
apache-2.0
8,690
[ "VisIt" ]
448dc1a016675746decaa131b921c1ca06cdb1effb790e32e40e00bddea0aee0
#!/usr/bin/python # -*- coding: utf-8 -*- from lib.meos import MEoS from lib import unidades class Cyclohexane(MEoS): """Multiparameter equation of state for cyclohexane""" name = "cyclohexane" CASNumber = "110-82-7" formula = "cyclo(CH2)6" synonym = "" rhoc = unidades.Density(271.33016352) ...
edusegzy/pychemqt
lib/mEoS/Cyclohexane.py
Python
gpl-3.0
10,322
[ "Jmol" ]
306b67753b21e1acd6578930dd8ae8012b13f464a7051bec01eb6722253effbd
"""Class for making a redMaGiC galaxy selection.""" from collections import OrderedDict import os import numpy as np import fitsio import time import scipy.optimize import esutil import healpy as hp from ..catalog import Entry, Catalog from ..galaxy import GalaxyCatalog from ..configuration import Configuration from ...
erykoff/redmapper
redmapper/redmagic/redmagic_selector.py
Python
apache-2.0
10,043
[ "Galaxy" ]
323595018a156fb9ba22a290eab283c486942508098ed6597a7da089fc583192
#!/usr/bin/python3 # -*- coding: UTF-8 -*- # Introduction: 本程序用于 # Created by galaxy on 2016/9/8 10:50 import os my_path = os.getcwd() gbk_dir = os.path.join(my_path, 'gbk') batch_lines = [] for root, dirs, files in os.walk(gbk_dir): for each_file in files: gbk_path = 'gbk/{0}'.format(each_file) e...
cvn001/RecentHGT
src/convertGenbank2table_InBatch.py
Python
mit
691
[ "Galaxy" ]
43121bc20ba222b0f9f203439e926489129d4199dd8fac9fbabee5dd567feed8
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2006 Donald N. Allingham # Copyright (C) 2007-2009 Brian G. Matherly # Copyright (C) 2009-2010 Benny Malengier <benny.malengier@gramps-project.org> # Copyright (C) 2010 Peter Landgren # Copyright (C) 2011 Adam Stein <adam@csh.rit.ed...
beernarrd/gramps
gramps/plugins/docgen/asciidoc.py
Python
gpl-2.0
17,303
[ "Brian" ]
bb658db6bbc4a8624650ee26c21d24dff056988fbbaefd21f3eeeb7913411c9a
#!/usr/bin/python """ Script for parsing Gaussian input files (obtained from the EMSL website for example) and converting them into PyQuante's (http://pyquante.sourceforge.net/) format. It reads a file from the stdin and outputs to the stdout (so you should redirect it to a file). This file should then be put in th...
aalopes/atomicCI
parseGaussian/parseGauss.py
Python
bsd-3-clause
5,423
[ "Gaussian" ]
c5e455def00509ce94cb03f8dc818615c2eefab23e3a9b0486d24ef6fcc34dab
""" Dropbox API Storage object. """ import pickle import os import tempfile from shutil import copyfileobj from .base import BaseStorage, StorageError from dropbox.rest import ErrorResponse from django.conf import settings from dropbox.client import DropboxClient from dropbox import session DEFAULT_ACCESS_TYPE = 'app_...
nimbis/django-dbbackup
dbbackup/storage/dropbox_storage.py
Python
bsd-3-clause
8,496
[ "VisIt" ]
5251fb73d13afbd95c065f56ba93fb3f0dd91bdc3232b2809d65fc0706cf0aae
import matplotlib.pyplot as plt import argparse import warnings from orcanet.history import HistoryHandler from orcanet.utilities.visualization import TrainValPlotter class Summarizer: """ Summarize one or more trainings by giving their orcanet folder(s). - Plot the training and validation curves in a si...
ViaFerrata/DL_pipeline_TauAppearance
orcanet/utilities/summarize_training.py
Python
agpl-3.0
7,103
[ "Gaussian" ]
55eddc47b7d45f303dc081aa7eae463fac20002eb4bb9bed84ca1a9f19f91e46
import pandas as pd import numpy as np import os from sys import argv import copy import matplotlib.pyplot as plt from mpl_toolkits.mplot3d import proj3d from matplotlib.patches import FancyArrowPatch plot_angle = 0 # plot histogram of maxmimum angle between NN atom vectors. class POSCAR: theta = 90 ...
cwandtj/A2P2
SurfaceExtraction_PCA_180419.py
Python
mit
27,865
[ "VASP" ]
b0f111e6718550460b545700255f0be6dd5d88a29d2527fb3bac62fc14385a16
# Copyright (C) 2013-2017 Paulo V. C. Medeiros # This file is part of BandUP: Band Unfolding code for Plane-wave based calculations. # # BandUP 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 ...
paulovcmedeiros/band_unfolding
src/python_interface/bandupy/runners.py
Python
gpl-3.0
3,192
[ "ABINIT", "CASTEP", "VASP" ]
e0702954c4085a39910050a498d2f1f923a0541bec671ff0a6c61c577bbacf67
# Copyright (c) 2010-12, Pierre-Antoine Delsart, Kurtis Geerlings, Joey Huston, # Brian Martin, and Christopher Vermilion # #---------------------------------------------------------------------- # This file is part of SpartyJet. # # SpartyJet is free software; you can redistribute it and/or modify # ...
mickypaganini/SSI2016-jet-clustering
spartyjet-4.0.2_mac/python/SpartyJetConfig.py
Python
mit
1,210
[ "Brian" ]
72641958e78034c8d07695962ad9af0e550e090d4e78922e4d133f2d5fbeadfd
import os import numpy as np from astropy.io import fits from astropy import wcs from astropy.convolution import Gaussian2DKernel, convolve_fft, convolve from skimage import restoration import matplotlib.pyplot as plt import blast.util fwhm = 5.0 mapdir = "/home/wizwit/miscellaneous_projects/carina/carinaData" mapfil...
sbg2133/miscellaneous_projects
carina/velocityMaps/smoothMopra_13.py
Python
gpl-3.0
1,544
[ "BLAST", "Gaussian" ]
40a1313e34e4c8ab3ce2a562ba967c459a446e5b9033153a0a4bb7a6167497bd
""" # 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 includes CLOCK-DRIVEN synapses, for direct comparison to DynaSim's clock-driven architecture. The synaptic connec...
asoplata/dynasim-benchmark-brette-2007
Brian2/brian2_benchmark_COBAHH_clocksyn_hidens_compiled_0128.py
Python
gpl-3.0
3,911
[ "Brian" ]
befa0256ea06c3256c04340d6e24e5b1f2ee7d55207fc1060e7c31cf6aec1936
# -*- coding: latin1 -*- from __future__ import print_function """ .. currentmodule:: pylayers.antprop.rays .. autosummary:: :members: """ import doctest import os import sys import glob try: # from tvtk.api import tvtk # from mayavi.sources.vtk_data_source import VTKDataSource from mayavi import mlab e...
pylayers/pylayers
pylayers/antprop/rays.py
Python
mit
132,523
[ "Mayavi" ]
cac3cafe33ef01707109df174c7d6c73a6f608db985cae225d8258e6e2837c64
""" Implementation of Harwell-Boeing read/write. At the moment not the full Harwell-Boeing format is supported. Supported features are: - assembled, non-symmetric, real matrices - integer for pointer/indices - exponential format for float values, and int format """ # TODO: # - Add more support (symmetr...
pizzathief/scipy
scipy/io/harwell_boeing/hb.py
Python
bsd-3-clause
19,230
[ "exciting" ]
b60b79e9f5929314d15ddd120b67f19b56fccda43a91b7504012f538a1ffd466
__all__ = ['Neuron', 'Simulation', 'Integrator', 'Stimulus', 'plotting_tools', 'pretty_plotting', 'tuning_analysis', 'data_extractor']
miladh/lgn-simulator
tools/analysis/__init__.py
Python
gpl-3.0
157
[ "NEURON" ]
226e7223a6bf1383e04ba753ebd1838c23575519fd37e22caa6df751873c4862
""" OLD -- this module has not been fully modernized, and most likely will not import. forcing.py: construct forcing (and eventually initialization?) for suntans runs. the total process is something like this: 1) Write a forcing_conf.py file that goes with a specific grid This file constructs groups of ed...
rustychris/stompy
stompy/model/suntans/forcing.py
Python
mit
103,813
[ "NetCDF" ]
97af0b18f9b2f43d3e4dd08b1776da6ac6cb71db58cfdd1206ee03c3089c06f5
############################################################################## # 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...
mfherbst/spack
var/spack/repos/builtin/packages/r-dose/package.py
Python
lgpl-2.1
2,475
[ "Bioconductor" ]
702215a1837e54212e6d4d39353a3abe60025c4daf6aaf2aabd5fb5cc067451b
# -*- coding: utf-8 -*- """This module contains functions to be called from console script entry points. """ # symbols which are imported by "from mse.command import *" __all__ = ['bootstrap', 'ConfigurationError', 'start'] import sys import optparse from os import getcwd from os.path import dirname, exists, join i...
jinmingda/MicroorganismSearchEngine
mse/command.py
Python
mit
4,370
[ "VisIt" ]
a55ca05be16a95b2d317f6c7a71f470d6f74c646afef4b15ce6ad8e5f8e59938
""" Acceptance tests for the teams feature. """ import json import random import time from dateutil.parser import parse import ddt from flaky import flaky from nose.plugins.attrib import attr from selenium.common.exceptions import TimeoutException from uuid import uuid4 from ..helpers import get_modal_alert, EventsTe...
IndonesiaX/edx-platform
common/test/acceptance/tests/lms/test_teams.py
Python
agpl-3.0
82,589
[ "VisIt" ]
a093fb62bda848c19ee52857c9a2053885ca7327cb2814044bd4d00c3637f17d
# Copyright 2016 Autodesk Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing...
tkzeng/molecular-design-toolkit
setup.py
Python
apache-2.0
3,223
[ "VisIt" ]
a4bc2e46adbe5866bfa6ff3ea31a6b793fb1acd88616953456b301df711cce71
# Copyright 2015 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
DavidNorman/tensorflow
tensorflow/python/ops/image_ops_test.py
Python
apache-2.0
203,147
[ "Gaussian" ]
b929f99f53d0c27c85b10d3730ea0d33f8f14cd2c2f8ae51248a0eb80ddce4e2
# TO-DO: to be moved to tests directory from __future__ import print_function from __future__ import absolute_import from __future__ import division import cmd import sys import os.path from DIRAC.DataManagementSystem.Client.CmdDirCompletion.AbstractFileSystem import UnixLikeFileSystem from DIRAC.DataManagementSystem...
yujikato/DIRAC
src/DIRAC/DataManagementSystem/Client/test/new_dir_completion.py
Python
gpl-3.0
1,215
[ "DIRAC" ]
e80fd082b1e3287b1502c647e8cc771802b6b51d7406894601ea3036263d0061
# -*- encoding: utf-8 -*- import sys import os.path import logging def precheck( configs ): """ checks configs for problems return value specifies number of errors found Checks: - if the full path to the executables have not been provided are these the right ones? - if bowtie/bowtie are the indexes bowtie/bowt...
polarise/breeze
breeze/precheck.py
Python
gpl-2.0
1,136
[ "Bowtie" ]
9349bc6f613856cd15f703c3837da4c89557aeb50a40f36be32d0d8e0d92011c
#!/usr/bin/env python # -*- coding: utf-8 -*- import os from setuptools import setup # Version number version = '0.0.1' def read(fname): return open(os.path.join(os.path.dirname(__file__), fname)).read() setup(name = 'GPSVI', version = version, author = 'Ziang Zhu', author_email = 'zhu.ziang.1...
AlchemicalChest/Gaussian-Process-with-Stochastic-Variational-Inference
setup.py
Python
mit
1,017
[ "Gaussian" ]
6261ad2951904d5a51912700284ed84c1e4f91f6f8df446c5a7f0eb67f1ef0b1
"""This demo program solves Poisson's equation - div C grad u(x, y) = f(x, y) on the unit square with source f given by f(x, y) = 10*exp(-((x - 0.5)^2 + (y - 0.5)^2) / 0.02) and boundary conditions given by u(x, y) = 0 for x = 0 or x = 1 du/dn(x, y) = 0 for y = 0 or y = 1 The conductivity C is a sym...
akshmakov/Dolfin-Fijee-Fork
demo/documented/tensor-weighted-poisson/python/demo_tensorweighted-poisson.py
Python
lgpl-3.0
3,177
[ "VTK" ]
261f24153cca54e09c436d52fd31f2f49f77c5e5a8b8245a087e73903934a761
# Lint as: python3 # Copyright 2021 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless ...
tensorflow/lingvo
lingvo/core/checkpointer_eager_test.py
Python
apache-2.0
7,045
[ "Gaussian" ]
4e147d6d980750617d6314c3169d803680e95282a700c9dd359e0d114d14ea2e
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2005 Donald N. Allingham # Copyright (C) 2007-2008 Brian G. Matherly # Copyright (C) 2008 Peter Landgren # Copyright (C) 2010 Jakim Friant # Copyright (C) 2012,2017 Paul Franklin # Copyright (C) 2014 Nick Hall # # This program...
jralls/gramps
gramps/gui/plug/report/_styleeditor.py
Python
gpl-2.0
23,885
[ "Brian" ]
7aeeffb21516eade9bdb097db5fde16a00a5bb598c9e11d14f6b0defc5967a5f
# Copyright 2000-2002 by Andrew Dalke. # Revisions copyright 2007-2010 by Peter Cock. # 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. """Alphabets used in Seq objects etc to de...
zjuchenyuan/BioWeb
Lib/Bio/Alphabet/__init__.py
Python
mit
14,959
[ "Biopython" ]
18f9dfb2fba8034131569836bc4a1e88e9133f2d41680baa0f35f08135e5be29
import os from tempfile import mkdtemp, NamedTemporaryFile import pytest from numpy.testing import assert_array_equal, assert_array_almost_equal import pandas as pd import oddt from oddt.utils import method_caller from oddt.spatial import rmsd from oddt.scoring import scorer from oddt.scoring.functions import rfscor...
mkukielka/oddt
tests/test_virtualscreening.py
Python
bsd-3-clause
10,272
[ "RDKit" ]
1bbf03ac0dc77c13dcc357191e53c18485b15a4d2c19c7c494823aa3e987ee19
# 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...
BackupTheBerlios/espressopp
src/tools/__init__.py
Python
gpl-3.0
1,523
[ "ESPResSo", "VMD" ]
d962969f2f8eea37a0f86379135785fcd83a73a1c297766089604aa4656b9d7e
''' master file ''' ''' imports needed for doing bash commands in python ''' import os import shutil ''' imports needed for getRestartTime ''' from scipy.io import netcdf import glob ''' imports needed for email ''' import smtplib from email.MIMEMultipart import MIMEMultipart from email.MIMEText import MIMEText def...
wesleybowman/aidan-projects
placentia/master.py
Python
gpl-2.0
9,667
[ "NetCDF" ]
e661d625a83f2cd17bae964a2a3652daf9e1a97c99306e1a55bcbe6f8f79443f
""" desitarget.lyazcat ================== Post-redrock ML processing for LyA Quasar object identification. """ import os import numpy as np import time import fitsio from desitarget.geomask import match, match_to from desitarget.internal import sharedmem from desitarget.io import write_with_units from desispec.io im...
desihub/desitarget
py/desitarget/lyazcat.py
Python
bsd-3-clause
30,371
[ "Gaussian" ]
94b5d738f7fdd1fec41139523ae6673f0bbe007a02e8dd55c81bd669163f6246
############################################################################## # adaptiveMD: A Python Framework to Run Adaptive Molecular Dynamics (MD) # Simulations on HPC Resources # Copyright 2017 FU Berlin and the Authors # # Authors: Jan-Hendrik Prinz # Contributors: # # `adaptiveMD` is free software: ...
markovmodel/adaptivemd
adaptivemd/engine/acemd/acemd.py
Python
lgpl-2.1
2,101
[ "ACEMD", "MDTraj" ]
8cc7f777fe01fba588634e0374bf7de5c540b150943caaf711ca8858f5624b8b
#!/usr/bin/env python2 # -*- coding: utf-8 -*- # # This file is part of solus-sc # # Copyright © 2014-2018 Ikey Doherty <ikey@solus-project.com> # # 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 Founda...
solus-project/evolve-sc
xng/details.py
Python
gpl-2.0
19,486
[ "VisIt" ]
3744d2ceb3a3faca59f29b7b196e2c966ba6b33ac129954c7b547761e3799872
#!/usr/bin/python # # This source file is part of appleseed. # Visit http://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2015 Hans Hoogenboom, The appleseedhq Organization # # Permission is hereby granted, free of charge, to any perso...
Vertexwahn/appleseed
scripts/oslextractmeta.py
Python
mit
16,460
[ "VisIt" ]
88db088d6436a500423fab97f6287cbb0907f03a514ae58e7db23057a0a4f11b
# This code simulates something the user would like to do. In this # case the code allows a user to create a 3D cube of data (a numpy # array), specify an equation for the scalars and view it using the # mayavi plugin. The only "envisage bits" are the code that let one # grab the running mayavi instance and script it...
dmsurti/mayavi
examples/mayavi/explorer/explorer_app.py
Python
bsd-3-clause
8,360
[ "Mayavi", "VTK" ]
fb10371092649edb0209e5b8a43a6ae92651841ba2c4575549136e06d6330888