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#=============================================================================# # MODEL DEFINITION FILE # #=============================================================================# import numpy as np #----------------------------------------------------------...
crpurcell/RM-tools
RMtools_1D/deprecated/models_mc/m6.py
Python
mit
6,807
[ "Gaussian" ]
688f04f883a98b918675a0edc45a1ef51ec14f7e18b2573316b3ec628c5bc1ba
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals """ Created on Nov 10, 2012 @author: shyue """ __author__ = "Shyue Ping Ong" __copyright__ = "Copyright 2011, The Materials Project" __version__ = "0.1" __m...
migueldiascosta/pymatgen
pymatgen/core/tests/test_composition.py
Python
mit
16,674
[ "pymatgen" ]
14e3d9ccd1d7c58e6380d71f2c0d1a4d4c61f04105a6b2ef688d44e31c8a5f33
import Bio.SeqIO as sio from Bio.Alphabet import IUPAC from Bio import motifs import numpy as np import re import os L = {'A': 0, 'a': 0, 'C': 1, 'c': 1, 'G': 2, 'g': 2, 'T': 3, 't': 3 } def _getOneHotSeq(seq): """Convert Biopython Seq to one-hot encoding. .. note:: ...
schulter/crbm
secomo/sequences.py
Python
gpl-3.0
3,530
[ "Biopython" ]
2f25ad6251a89aaa8b44233309cf15d29dacf369d5876115efe56c46fbe4fa79
import logging logger = logging.getLogger(__name__) from netCDF4 import Dataset def set_basic_md(resource): """ basis meta data :param resource: netCDF file where basic meta data should be set """ import sys from datetime import datetime as dt py_version = sys.version creation_date = dt.strftime( ...
sradanov/flyingpigeon
flyingpigeon/metadata.py
Python
apache-2.0
9,754
[ "NetCDF" ]
18850415273e5186dd7125178ac2c032707fec839fb2a7ef4e71fed7d54e3c3e
''' Created on Aug 22, 2014 @author: David Zwicker <dzwicker@seas.harvard.edu> contains functions that are useful for image analysis ''' from __future__ import division import functools import numpy as np from scipy import ndimage import cv2 from utils.data_structures.cache import cached_property def subpixe...
david-zwicker/video-analysis
video/analysis/image.py
Python
bsd-3-clause
13,979
[ "Gaussian" ]
a464cd7354d424d891268c3679dfe949c2c0a63417a4c20e22078221c0729972
import hyperchamber as hc import numpy as np import hypergan as hg from hypergan.distributions.uniform_distribution import UniformDistribution from hypergan.gan_component import ValidationException from unittest.mock import MagicMock from tests.mocks import MockDiscriminator, mock_gan gan = mock_gan() distribution = ...
255BITS/HyperGAN
tests/distributions/test_uniform_distribution.py
Python
mit
1,656
[ "Gaussian" ]
69a8853c5a54e5fe3ffd98bcf3744b1c4aa7faa13a5d5c39eeda737c2db170e5
"""Functions for escaping and unescaping strings (for URLs, filenames, etc). The underscore escaping functions are useful when generating directory names which should be reasonably human-readable, and not contain characters which are likely to confuse programs (e.g. ":" doesn't work on Windows, "#" confuses cmake, "="...
michel-slm/0install
zeroinstall/support/escaping.py
Python
lgpl-2.1
1,637
[ "VisIt" ]
75b307add7a82b3b586ed62ee258edf2aa83fe3703515ed4c4039ddd238c928a
from __future__ import print_function, absolute_import, division from future.builtins import * from future import standard_library standard_library.install_aliases() # Copyright 2017 Autodesk Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with ...
Autodesk/molecular-design-toolkit
moldesign/data/data.py
Python
apache-2.0
2,786
[ "GAMESS", "PySCF" ]
983ede182cb3f8da2bfd534834011413aaf9220f2185b9170adf4a9d036c6885
#!/usr/bin/env python2 # Copyright (C) 2016 # Max Planck Institute for Polymer Research # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either ver...
acfogarty/espressopp
examples/adress/hadress_tetraliquid/hadress_tetraliquid_FEC/hadressPressureFEC.py
Python
gpl-3.0
8,976
[ "CRYSTAL", "ESPResSo" ]
2ce037255d9a474f12fbe29c4454df2d402ecb7f27a8d70f25d09cb1ea2e477f
#!/usr/bin/python # # This source file is part of appleseed. # Visit https://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2014-2018 Francois Beaune, The appleseedhq Organization # # Permission is hereby granted, free of charge, to any...
Biart95/appleseed
scripts/runtestsuite/runtestsuite.py
Python
mit
21,256
[ "VisIt" ]
22d783c59720498af86bcf9fa5b7f2afb04a85f71d7f4d175c7be636e097b853
"""rbf - Radial basis functions for interpolation/smoothing scattered Nd data. Written by John Travers <jtravs@gmail.com>, February 2007 Based closely on Matlab code by Alex Chirokov Additional, large, improvements by Robert Hetland Some additional alterations by Travis Oliphant Interpolation with multi-dimensional ta...
lhilt/scipy
scipy/interpolate/rbf.py
Python
bsd-3-clause
12,011
[ "Gaussian" ]
fb1ff2827e1ee5897c6864c307b3b2d5e06155cb2fd4c21edec1a87e41046265
input_name = '../examples/navier_stokes/stabilized_navier_stokes.py' output_name = 'test_stabilized_navier_stokes.vtk' from tests_basic import TestInput class Test( TestInput ): pass
RexFuzzle/sfepy
tests/test_input_stabilized_navier_stokes.py
Python
bsd-3-clause
188
[ "VTK" ]
461dfbe98643ef4ad96976328a647b61fe30b40520a3a3d9a261c1f1887009b5
##################################################################################### # # Copyright (c) Crossbar.io Technologies GmbH # # Unless a separate license agreement exists between you and Crossbar.io GmbH (e.g. # you have purchased a commercial license), the license terms below apply. # # Should you enter ...
NinjaMSP/crossbar
crossbar/adapter/mqtt/test/test_protocol.py
Python
agpl-3.0
16,012
[ "FEFF" ]
23c84cb704b40d30ab8df06acc86e484097cf67b8c2549377a10fd2a337f6b94
#!/usr/bin/env python # Exercise 43: Basic Object-Oriented Analysis and Design # Class Hierarchy # * Map # - next_scene # - opening_scene # * Engine # - play # * Scene # - enter # * Death # * Central Corridor # * Laser Weapon Armory # * The Bridge # * Escape Pod # * Human # - attack # - defend #...
Akagi201/learning-python
lpthw/ex43.py
Python
mit
9,133
[ "BLAST" ]
17edca621e7a7e3e480954ebb84aedf68c187608c976149643d648d162727d9c
# Copyright (C) 2010-2018 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later v...
mkuron/espresso
samples/visualization_lbboundaries.py
Python
gpl-3.0
1,774
[ "ESPResSo" ]
2329380d8f2c00aec0f1b64e1e681dcac154353c5d3df17fe1ed1758d0313980
import pysam import sys import gzip import os import logging import argparse import xml.etree.ElementTree as ET import subprocess from CountXmlUtils import readCountXmlQueryLocationInFeatures DEBUG = False NOT_DEBUG= not DEBUG if DEBUG: genomeListFile="/scratch/cqs/shengq2/vickers/20191112_smallRNA_3018-KCV_76_mous...
shengqh/ngsperl
lib/SmallRNA/getBacteriaCount2.py
Python
apache-2.0
4,363
[ "pysam" ]
7e6dae339942bfbb0a6c7300312bc442054c23bca95236bcad799fedbb5806e9
# Lint as: python3 # Copyright 2018 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/tasks/mt/base_config.py
Python
apache-2.0
27,164
[ "Gaussian" ]
83b5d51f16716f422b1aa1fc28069c6e5a2711dbdbea0ac905b820d3bf8f5911
""" VOMS2CSSyncronizer is a helper class containing the logic for synchronization of the VOMS user data with the DIRAC Registry """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = "$Id$" from collections import defaultdict from DIRAC import...
ic-hep/DIRAC
src/DIRAC/ConfigurationSystem/Client/VOMS2CSSynchronizer.py
Python
gpl-3.0
26,822
[ "DIRAC" ]
267038e18c79bb631257a9fb885d16127ad61b9ee32e69b106290a1e9125d6e7
#!/usr/bin/env python import argparse import os import matplotlib as mpl havedisplay = "DISPLAY" in os.environ if not havedisplay: mpl.use('Agg') import numpy as np import pylab as plt from crrlpy import crrls from crrlpy.models import rrlmod from crrlpy import synthspec as synth def power_law(freq, Tc, nu): ...
astrofle/CRRLpy
scripts/make_spec.py
Python
mit
7,100
[ "Gaussian" ]
dad9589c723018d989a084e175ea73ab23d8954e0bab3f6c5dcf0d804d1c6aca
#!/usr/bin/env python from __future__ import print_function, division import bayesloop as bl import numpy as np import sympy.stats as stats class TestTwoParameterModel: def test_fit_1cp_1bp_2hp(self): # carry out fit S = bl.ChangepointStudy() S.loadData(np.array([1, 2, 3, 4, 5])) ...
christophmark/bayesloop
tests/test_changepointstudy.py
Python
mit
4,717
[ "Gaussian" ]
8751c018f44203e7309eb53e1ebd63efe42825ccb0d7457e881e560e5291873a
""" Description of the video: Mimic of Star Wars' opening title. A text with a (false) perspective effect goes towards the end of space, on a background made of stars. Slight fading effect on the text. """ import numpy as np from skimage import transform as tf from moviepy.editor import * from moviepy.video.tools.dr...
kerimlcr/ab2017-dpyo
ornek/moviepy/moviepy-0.2.2.12/examples/star_worms.py
Python
gpl-3.0
4,827
[ "Galaxy" ]
18b0d85485c76cebc6cb220c94e3e44686f6bcf330c1d80329272e6a308b8fd7
# # @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/mcscf/mcscf_solver.py
Python
lgpl-3.0
14,309
[ "Psi4" ]
c5fee228dd6e5d16ad5538cd28d0933dcebeaede8d728403cc4be77a583017ee
# -*- coding: utf-8 -*- ## ## This file is part of Invenio. ## Copyright (C) 2011, 2012 CERN. ## ## Invenio is free software; you can redistribute it and/or ## modify it under the terms of the GNU General Public License as ## published by the Free Software Foundation; either version 2 of the ## License, or (at your opt...
MSusik/invenio
invenio/legacy/bibauthorid/webapi.py
Python
gpl-2.0
111,703
[ "VisIt" ]
24ee05ec31bbd2b1af92964296112c3bbce77e492765e62b95ed23894534cac7
#!/usr/bin/python # coding: UTF-8 #-------------------------------------------------------------------------------------------------- # This script use python # adding quick-reference comment in ./model/***.param files. #-------------------------------------------------------------------------------------------------...
kawai125/md_fdps
script/param_file_comment.py
Python
mit
6,604
[ "CHARMM" ]
a16c2d80ec3cae91c6c4bc867f7c571c316fb79e6918c4de8863db2ee0b21798
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2002-2007 Donald N. Allingham # Copyright (C) 2007-2008 Brian G. Matherly # 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 publ...
arunkgupta/gramps
gramps/gen/filters/rules/citation/__init__.py
Python
gpl-2.0
1,994
[ "Brian" ]
c89131734d80c4ed6ca9d8d6d4e91348961f49ff6cbe1a3053bb8dae29bbb38d
# 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 applic...
b4dawn75/cifar10-dist
cifar10.py
Python
mit
15,143
[ "Gaussian" ]
9a9131e95959c256fb0b43e6745d1f5a64e01c2673fd13f7e69666f399da8f25
#!/usr/bin/python -W all """ findRoutes.py: find longest route with an index of the available train rides usage: findRoutes.py [-b beam-size] [-f firstStation] [-h] [-H history-file] [-i] [-n] [-s time] [-S] < traintrips.txt note: expected input line formats: 1. hash sign distance start-station end-station...
eriktks/kmtrein
findRoute.py
Python
apache-2.0
23,335
[ "VisIt" ]
acc4b2c0a6231bc57b0dfd59878fd36c16b1c4085f71b340f12429b25338670a
#!/usr/bin/env python # standard library import itertools import random # third party import dendropy as dpy import numpy as np from tree_distance import PhyloTree # treeCl from .errors import optioncheck from .constants import ISPY3 from .utils import fileIO, weighted_choice from .utils.decorators import lazyprop f...
kgori/treeCl
treeCl/tree.py
Python
mit
53,894
[ "Brian" ]
cd73b12dbc9894fd2411aae894ee7afb117c5c8fa36de46bd4694674660bb7f7
# -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # 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...
googleapis/python-pubsublite
tests/unit/gapic/pubsublite_v1/test_subscriber_service.py
Python
apache-2.0
49,675
[ "Octopus" ]
4ae9ec57c400911c1cd6c203e632c4667ce433252468c40f614540738b3bc3ae
#Author: Ajayrama Kumaraswamy(ajayramak@bio.lmu.de) #Date: 3 March 2014 #Place: Dept. of Biology II, LMU, Munich #********************************************List of Dependencies******************************************************* #The following code has been tested with the indicated versions on 64bit Linux and P...
ajayramak/BlenderSWCVizualizer
blenderHelper.py
Python
apache-2.0
24,404
[ "NEURON" ]
8a55a88d6ca822adf4fbf29b1fde5e2a957a73d9f82bdaf68410d62393607b8f
#!/usr/bin/env python # -*- coding:utf-8 -*- from random import shuffle import os class Blackjack(object): def __init__(self): self.money = 2000.00 def creat_deck(self, deck=1): ''' Create card function, it is possible to create a deck with more cards. Increases the difficulty...
Bhyan/blackjack
blackjack/blackjack.py
Python
mit
3,037
[ "CASINO" ]
00b099b48f8b392eddb24fcff87bce824a4808c9052230d3ff11eb17e5a00124
"""Sensor that can display the current Home Assistant versions.""" from datetime import timedelta import logging from pyhaversion import HaVersion, HaVersionChannel, HaVersionSource from pyhaversion.exceptions import HaVersionFetchException, HaVersionParseException import voluptuous as vol from homeassistant.componen...
w1ll1am23/home-assistant
homeassistant/components/version/sensor.py
Python
apache-2.0
4,721
[ "TINKER" ]
8158fe6ea6c5ba6da86525085cab63bec1899b02d0ca746b2b2fd208ac52c737
# This file is part of PyEMMA. # # Copyright (c) 2015, 2014 Computational Molecular Biology Group, Freie Universitaet Berlin (GER) # # PyEMMA is free software: you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License as published by # the Free Software Foundation, either versi...
markovmodel/PyEMMA
pyemma/coordinates/data/featurization/featurizer.py
Python
lgpl-3.0
41,564
[ "MDTraj" ]
d43317af4f31921d6c5f60b0b26389cb4f38d9fb7ae7766f489128dfff8d697e
## This file is part of Scapy ## See http://www.secdev.org/projects/scapy for more informations ## Copyright (C) Philippe Biondi <phil@secdev.org> ## This program is published under a GPLv2 license """ Packet sending and receiving with libdnet and libpcap/WinPcap. """ import time,struct,sys import socket if not sys.p...
guedou/scapy-codecov
scapy/arch/pcapdnet.py
Python
gpl-2.0
25,041
[ "VisIt" ]
ff1d259e3e82ded3f158292cb4b15b363bbfae9a17ae47124f2a67f75e3b4437
"""! @brief Neural and oscillatory network module. Consists of models of bio-inspired networks. @authors Andrei Novikov (pyclustering@yandex.ru) @date 2014-2020 @copyright BSD-3-Clause """ import math from enum import IntEnum class initial_type(IntEnum): """! @brief Enumerator of types of ...
annoviko/pyclustering
pyclustering/nnet/__init__.py
Python
gpl-3.0
15,896
[ "Gaussian" ]
6ce39d85fc47caccfffe87e82d723c8b29ebb15c0e87fdc51a468181d6c9119d
#!/usr/bin/python # # 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/ # # # Reads signed certificate, validates signature and prints pa...
afan1/rvi_core
python/rvi_sign.py
Python
mpl-2.0
1,105
[ "Jaguar" ]
9fb78306e732c36e9ae5da6d77e821181c95c3c98dce4df86e880925a5417a73
# Eidolon Biomedical Framework # Copyright (C) 2016-8 Eric Kerfoot, King's College London, all rights reserved # # This file is part of Eidolon. # # Eidolon 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, eit...
ericspod/Eidolon
eidolon/ImageAlgorithms.py
Python
gpl-3.0
35,574
[ "Gaussian" ]
425f8d49fa081db78c2e71ab5b06558a1403503abe97c1ca9a9f11afd8e4dbdf
# Copyright 2017 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...
xuleiboy1234/autoTitle
tensorflow/tensorflow/contrib/distributions/python/ops/mvn_full_covariance.py
Python
mit
7,246
[ "Gaussian" ]
65843b23232bc61569c3e5bbe89358e19cf10a4d1084d2fac5b7ac1e5c118aa3
# -*- coding: UTF-8 -*- """ ``BlastXMLmerge`` ----------------------- :Authors: Menachem Sklarz :Affiliation: Bioinformatics core facility :Organization: National Institute of Biotechnology in the Negev, Ben Gurion University. A module for running ``BlastXMLmerge.py``, available from github at https://github.com/jh...
bioinfo-core-BGU/neatseq-flow_modules
neatseq_flow_modules/searching/BlastXMLmerge.py
Python
gpl-3.0
5,721
[ "BLAST" ]
ba46211f7a784a085506c60a9ca7b35de6ae5c2363c1d7e33847d51084f04479
import ast import json import os import re import sys from functools import partial from importlib import import_module from optparse import make_option from shutil import copyfile from django.conf import settings from django.core.management.base import BaseCommand from django.db.models.fields import NOT_PROVIDED, Dat...
symmetricapi/django-symmetric
symmetric/management/commands/generatebackbonemodels.py
Python
mit
34,070
[ "VisIt" ]
a80ad7f60a7709b7447eff1c373f91c5b4a98cc5017fffea72b0615e032670f2
import logging logger = logging.getLogger('Collections') import copy import scipy import SloppyCell import SloppyCell.Utility as Utility import SloppyCell.KeyedList_mod as KeyedList_mod KeyedList = KeyedList_mod.KeyedList if SloppyCell.HAVE_PYPAR: import pypar class ExperimentCollection(dict): """ Expe...
GutenkunstLab/SloppyCell
SloppyCell/Collections.py
Python
bsd-3-clause
19,564
[ "Gaussian" ]
aa72492f40c54114a20c4bd8323ea2e9f07ac9274d953c3cadad87b0c56ed44b
"""Abstraction for dealing with products and the files they contain.""" import os from xml.dom.minidom import parseString from .coda_aware import CODA_Aware class Product(CODA_Aware): """A CODA product, composed mainly of NetCDF files.""" def __init__(self, uuid, work_dir=""): self.files = [] ...
erget/Presence
codaPresence/product.py
Python
mit
1,964
[ "NetCDF" ]
67aca25bc9e675b254a89bb6599413c0a652de46dfab7509873e42eb5cf96bf6
# # Copyright (c) 2020, 2020, Oracle and/or its affiliates. All rights reserved. # DO NOT ALTER OR REMOVE COPYRIGHT NOTICES OR THIS FILE HEADER. # # This code is free software; you can redistribute it and/or modify it # under the terms of the GNU General Public License version 2 only, as # published by the Free Softwar...
smarr/Truffle
espresso/mx.espresso/mx_espresso_benchmarks.py
Python
gpl-2.0
12,162
[ "ESPResSo", "VisIt" ]
b53935d4ab8b4f2bc5df5befdc1c7dfc84f89ef6f27dd446176daeecd34dc9e1
# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) import datetime as dt from spack import * class Lammps(CMakePackage, CudaPackage): """LAMMPS stands for Large-scale ...
LLNL/spack
var/spack/repos/builtin/packages/lammps/package.py
Python
lgpl-2.1
12,617
[ "LAMMPS", "NetCDF" ]
2d9a5ad52744d2cf277c4a8162e42ed1c8e7838a7f6baac358e8eff770b90ed7
from __future__ import division, print_function import sys sys.path.append("../lib") import logging import theano import theano.tensor as T from theano import tensor from blocks.bricks.base import application, lazy from blocks.bricks.recurrent import BaseRecurrent, recurrent from blocks.bricks import Random, Initia...
drewlinsley/draw_classify
draw/fast_draw.py
Python
mit
19,059
[ "Gaussian" ]
1ee25eabcbd0ca3db455959268e4722a6d1dd7d3f464b83beedf396626519106
""" Sample Controller File A Controller should be in charge of responding to a request. Load models to interact with the database and load views to render them to the client. Create a controller using this template """ from system.core.controller import * import random from time import strftime class Welcome(Contro...
authman/Python201609
Ron_Miller/Assignments/NinjaGold_pylot/app/controllers/Welcome.py
Python
mit
1,855
[ "CASINO" ]
e0a36b348d4f10760353a6332b3c68431ef2880222b8e50da87ae75b04f4ff28
#!/usr/bin/python ## # Massimiliano Patacchiola, Plymouth University (2016) # # Implementation of hebbian connection and hebbian network classes. # import numpy as np class HebbianNetwork: """HebbianNetwork This is an implementation of the hebbian network class. The Hebbian Network is considered as an ...
mpatacchiola/pyERA
pyERA/hebbian.py
Python
mit
19,526
[ "Gaussian" ]
2b5d3f8f7ecbd432b8495a19aa4e6009abe08646a9b279840927e14e0a867e25
# -*- coding: utf-8 -*- """ Editor de Spyder Este es un archivo temporal """ # # Esto en [pyspark | GoogleCloud] NO hace falta (ya hay una seasión de spark lanzada y un sparkContext creado): # C:\Archivos de programa\Google\Cloud SDK>gcloud compute instances start cluster-jjtzapata-m cluster-jjtzapata-...
jjtoharia/KaggleOutbrain
pySpark/temp_spark.py
Python
mit
32,616
[ "Galaxy" ]
5ec00fb4f31055492b614cee64cd8ac799d6af0dcfff759e726dd84f30bbed4e
"""\ CGBF.py Perform basic operations over contracted gaussian basis functions. Uses the functions in PGBF.py. References: OHT = K. O-ohata, H. Taketa, S. Huzinaga. J. Phys. Soc. Jap. 21, 2306 (1966). THO = Taketa, Huzinaga, O-ohata, J. Phys. Soc. Jap. 21,2313 (1966). This program is part of the PyQuante qua...
berquist/PyQuante
PyQuante/CGBF.py
Python
bsd-3-clause
6,833
[ "Gaussian" ]
0e956c6e282bde66b6ced7f9dc2646b23223aa30857b601dce3563169581a58b
# Write the benchmarking functions here. # See "Writing benchmarks" in the asv docs for more information. import os import sys import py_entitymatching as mg p = mg.get_install_path() datasets_path = os.sep.join([p, 'datasets', 'example_datasets']) class TimeBlockTablesElect...
anhaidgroup/py_entitymatching
benchmarks/benchmark_rule_based_blocker.py
Python
bsd-3-clause
7,542
[ "VisIt" ]
445cd6581893460a04c166b05d97ab85cd4b66d2a75eb0476577b3466b208172
import json from collections import namedtuple, defaultdict from itertools import chain, islice from functools import partial from networkx import Graph, single_source_shortest_path from django.db import connection from django.http import HttpResponse from catmaid.control.authentication import requires_user_role fro...
catsop/CATMAID
django/applications/catmaid/control/analytics.py
Python
gpl-3.0
10,572
[ "NEURON" ]
a7e9b8070988f21710541069bb8797ce50de7b515357448dec420e74db9f2e28
# dulwich doesn't return the symref where remote HEAD points, so we monkey # patch it here from dulwich.errors import GitProtocolError from dulwich.protocol import extract_capabilities from edenscm.mercurial import url, util as hgutil try: from edenscm.mercurial import encoding hfsignoreclean = encoding.hfsi...
facebookexperimental/eden
eden/hg-server/edenscm/hgext/hggit/compat.py
Python
gpl-2.0
3,104
[ "FEFF" ]
2b0374d79a67154b2c6606e2a9d52275b562973cf2bc323d0412fddcc2253069
from math import sqrt from ase import Atoms from ase.optimize.lbfgs import LBFGS from ase.constraints import StrainFilter, UnitCellFilter from ase.io import Trajectory from ase.optimize.lbfgs import LBFGS from ase.optimize.mdmin import MDMin try: from asap3 import EMT except ImportError: pass else: a = 3.6 ...
suttond/MODOI
ase/test/unitcellfilter.py
Python
lgpl-3.0
945
[ "ASE" ]
a8dfb87f5e4da101d1aca365e271c20ce4fdec6ede6490ef80757e41c10cd424
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkHyperOctreeToUniformGridFilter(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager,...
nagyistoce/devide
modules/vtk_basic/vtkHyperOctreeToUniformGridFilter.py
Python
bsd-3-clause
525
[ "VTK" ]
d96e1157718846f2235045393bb3619a00b444116bc8d8397d0c93c1c14997db
# Copyright (C) 2002, Thomas Hamelryck (thamelry@binf.ku.dk) # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Polypeptide-related classes (construction and representation). Simple example with mul...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/PDB/Polypeptide.py
Python
gpl-2.0
14,399
[ "Biopython" ]
4ee51f3d60376867d5e646bc26590aa2cac39948265560c8ae7cb32b7452b2fd
# -*- coding: utf-8 -*- # Licensed under a 3-clause BSD style license - see LICENSE.rst # Author: Pauli Virtanen, 2016 from __future__ import (absolute_import, division, print_function, unicode_literals) import math from .util import inf, nan def compute_stats(samples, number): """ ...
pv/asv
asv/statistics.py
Python
bsd-3-clause
11,359
[ "Gaussian" ]
5ba259a28f93ad1b81249d0166bda71cd26ab9cad30e19e99ebf747286c7c908
#!/usr/bin/env python # # E-Mail post-processing script for NZBGet # # Copyright (C) 2013-2017 Andrey Prygunkov <hugbug@users.sourceforge.net> # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; e...
ta264/nzbget
scripts/EMail.py
Python
gpl-2.0
10,326
[ "VisIt" ]
e427ada1acf3855da21e1ed4c882518f97caf8e4380838fb80621a03cbed72e8
# Orca # # Copyright 2005-2009 Sun Microsystems Inc. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This...
h4ck3rm1k3/orca-sonar
src/orca/scripts/apps/soffice/braille_generator.py
Python
lgpl-2.1
9,347
[ "ORCA" ]
71c0e24204258bce13110fc4c5da7db71f106d129515168f8603f62f43b9db0e
#mccabe complexity: ["error", 31] from django.contrib.postgres.aggregates import ArrayAgg from django.core.cache import cache from django.db.models import F, Q, Count from django.http import HttpResponse, JsonResponse from django.shortcuts import render, redirect from django.utils.decorators import method_decorator fro...
protwis/protwis
signprot/views.py
Python
apache-2.0
66,370
[ "CRYSTAL" ]
b9c27f7a2e86c533fce341c2750b04561c2652af0c3f85dd619378ba8f2b541d
# changelog bisection for mercurial # # Copyright 2007 Matt Mackall # Copyright 2005, 2006 Benoit Boissinot <benoit.boissinot@ens-lyon.org> # # Inspired by git bisect, extension skeleton taken from mq.py. # # This software may be used and distributed according to the terms of the # GNU General Public License version 2 ...
seewindcn/tortoisehg
src/mercurial/hbisect.py
Python
gpl-2.0
9,244
[ "VisIt" ]
bc7c43ed70ae1942d1c3b1c959de6b79f6b8f10bb68adf57dcb793ffc093f680
"""A quick DOM implementation. Python's xml.dom is very slow. The xml.sax module is also slow (as it imports urllib2). This is our light-weight version. """ # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. from zeroinstall import _ from xml.parsers import expat c...
pombredanne/zero-install
zeroinstall/injector/qdom.py
Python
lgpl-2.1
3,375
[ "VisIt" ]
c30f2cbaa7ca865ee8f901cafa1dc93937607f87833c2d6c6c72fe51badf5a0e
#!/usr/bin/env python # -*- coding: utf-8 -*- # # Copyright @ 2014 Mitchell Chu from __future__ import (absolute_import, division, print_function, with_statement) from datetime import datetime import os from os.path import exists, isdir, join from torndsession.driver import SessionDriver from...
MitchellChu/torndsession
torndsession/filesession.py
Python
mit
3,165
[ "VisIt" ]
bfc8c369790faa7aed972534a302bee8b83c2cebe1db9ea98018923ba10733ef
# coding=utf-8 import ast import traceback from collections import OrderedDict class SampleCodeValidator(ast.NodeVisitor): """ Class that checks if a string is a valid and "safe" Python expression What is considered "safe" for this class is limited to the context of generating provider method sample...
joke2k/faker
faker/sphinx/validator.py
Python
mit
5,769
[ "VisIt" ]
d66b7cd2987c88103a3ba5c2365af4f6512037087776684c309630c57f10a09a
# Copyright 2019 Brian Quinlan # # 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 law or agreed to in writin...
brianquinlan/learn-machine-learning
lunarlander/play.py
Python
mit
2,796
[ "Brian" ]
607d4b6b7b0fab9094f65f0d910d2999e5ddbae8baefa75ff5c586387d0986c2
#!/usr/bin/env python # -*- coding : utf8 -*- """ Container for working with files in FDF, XV, MDE, OUT format """ import os import re import glob from collections import OrderedDict import xml.dom.minidom as xml import numpy as np import const import errors # --- Methods --- def data2file(data, title, file_name...
ansobolev/shs
shs/sio.py
Python
mit
19,561
[ "SIESTA" ]
2f35891ff6cc3581d672237ebb5f375bc24865993b6d7ec66749e09b9e186391
#!/usr/bin/env python3 # Copyright 2015 The Kubernetes 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 appl...
michelle192837/test-infra
hack/boilerplate/verify_boilerplate.py
Python
apache-2.0
7,683
[ "VisIt" ]
4a619c18ca2c12512fc5d3e9ed65e1185b74211710f9e8756be7061f1c84c5d5
''' thevideo urlresolver plugin Copyright (C) 2014 Eldorado This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is di...
azumimuo/family-xbmc-addon
script.mrknow.urlresolver/lib/urlresolver9/plugins/thevideo.py
Python
gpl-2.0
2,850
[ "VisIt" ]
a149ba4ecf3dd2b30c876f341e79d9e9c58276d19f5b50b5c1935bdf56606905
#! /usr/bin/env python from ase.utils.geometry import rotate from ase.io import read from ase.geometry.cell import cellpar_to_cell, cell_to_cellpar from pyDFTutils.ase_utils.symbol import get_symdict,symbol_number,symnum_to_sym from pyDFTutils.ase_utils.ase_utils import scaled_pos_to_pos,force_near_0,pos_to_scaled_pos...
mailhexu/pyDFTutils
pyDFTutils/perovskite/octahedra.py
Python
lgpl-3.0
21,324
[ "ASE" ]
1256f77a01d7f51613a7ab53ec3377f11ff3f1cac25f2cf93adda79ee6bf33cc
# $Id$ # # Copyright (C) 2003-2006 Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """ Unit Test code for Fragment Descript...
adalke/rdkit
rdkit/Chem/UnitTestFragmentDescriptors.py
Python
bsd-3-clause
8,371
[ "RDKit" ]
c9e0d30a04c9b757c4bc058d92fdd52cd25de5a7a73cd8a9bafac488e4921896
# ############################################################################# # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2014 Stanford University and the Authors # # Authors: Matthew Harrigan # Contributors: Carlos Xavier Hernandez # # MDTraj i...
gph82/mdtraj
tests/test_selection.py
Python
lgpl-2.1
10,441
[ "MDTraj" ]
23b314749d45001f5f6cd6911f2c89aa49f796519be87142ba5ceba4c67ffe1d
#!/usr/bin/env python # # extras_dictcursor - test if DictCursor extension class works # # Copyright (C) 2004-2010 Federico Di Gregorio <fog@debian.org> # # psycopg2 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...
pcu4dros/pandora-core
workspace/lib/python3.5/site-packages/psycopg2/tests/test_extras_dictcursor.py
Python
mit
17,434
[ "GULP" ]
caccfc44a1effd590ed8f0702fae3d0fe1522f68d7a8bff0a3e9d77c5c3caf2a
#!/usr/bin/env python import os import sys from libcl import NMRclust from libbuild import make_ligprotein from libindex import reindexing_file to_one_letter = {'GLY':'G', 'ALA':'A', 'SER':'S', 'THR':'T', 'CYS':'C', 'VAL':'V', 'LEU':'L', 'ILE':'I', 'MET':'M', 'PRO':'P', 'PHE':'F', 'TYR':'Y', 'TRP':'W', 'ASP':'D',...
seoklab/GalaxyPPDock
lib/libzdock.py
Python
gpl-3.0
10,468
[ "Galaxy" ]
ea9a34ebee4985ec646a20701acaa75696b6c123b097d31cf0cc94db0b3720ab
# Natural Language Toolkit: Probability and Statistics # # Copyright (C) 2001-2008 University of Pennsylvania # Author: Edward Loper <edloper@gradient.cis.upenn.edu> # Steven Bird <sb@csse.unimelb.edu.au> (additions) # Trevor Cohn <tacohn@cs.mu.oz.au> (additions) # URL: <http://nltk.sf.net> # For licens...
hectormartinez/rougexstem
taln2016/icsisumm-primary-sys34_v1/nltk/nltk-0.9.2/nltk/probability.py
Python
apache-2.0
61,472
[ "Gaussian" ]
b741a552ad9664a7adb12ecc1cad153fac0067bebfefb4b32603d40a4c24125a
from scipy.optimize import curve_fit from numpy import * import matplotlib.pyplot as plt # Create a function # ==> First encounter with *whitespace* in Python <== def gaussian(x, a, b, c): val = a * exp(-(x - b)**2 / c**2) return val # Generate fake data. # Note: functions in random package, array arithmetic ...
azariven/BioSig_SEAS
bin/dev/random_code.py
Python
gpl-3.0
1,048
[ "Gaussian" ]
b339187f674cbb6ba477c2bab2a9baebe64b169248c0eea7d066f3d6df10fa34
## Copyright 2015-2021 PyPSA Developers ## You can find the list of PyPSA Developers at ## https://pypsa.readthedocs.io/en/latest/developers.html ## PyPSA is released under the open source MIT License, see ## https://github.com/PyPSA/PyPSA/blob/master/LICENSE.txt """Functions for importing and exporting data. """ ...
PyPSA/PyPSA
pypsa/io.py
Python
mit
43,000
[ "NetCDF" ]
775376b33a16bc3b3162123b33c30dba336a9c0ce575ba2fa1fd3a67358df87c
# -*- coding: utf-8 -*- # <nbformat>3.0</nbformat> # <codecell> from __future__ import division from pandas import * import os, os.path import sys import numpy as np sys.path.append('/home/will/HIVReportGen/AnalysisCode/') sys.path.append('/home/will/PySeqUtils/') os.chdir('/home/will/HIVVariation/') from GeneralSeq...
JudoWill/ResearchNotebooks
SonyaSpots.py
Python
mit
9,724
[ "VisIt" ]
c1832708c31c308f98401f6e098fef503ea3543addf4bebfd84a452d6c4b97c7
#$Id: common.py,v 1.49 2010-12-29 12:13:04 jorn Exp $ # Import modules from standard Python library import sys,os.path,UserDict,re,xml.dom.minidom,datetime # Import additional third party modules import numpy import xmlstore.xmlstore def get_py2exe_datafiles(): from distutils.filelist import findall def add...
BoldingBruggeman/gotm
gui.py/xmlplot/common.py
Python
gpl-2.0
59,700
[ "NetCDF" ]
2d0ebbee2caf5008bcdaec22244168bdd1b285718d55e4b427fc5a526585ceb6
from util import * from InputParameters import InputParameters from MooseObject import MooseObject class Tester(MooseObject): @staticmethod def validParams(): params = MooseObject.validParams() # Common Options params.addRequiredParam('type', "The type of test of Tester to create for this test.") ...
mellis13/moose
python/TestHarness/testers/Tester.py
Python
lgpl-2.1
9,581
[ "VTK" ]
f3d11f02ef87073f4bf4ad771a55c79335d9387e8c2782ea759dd38757324823
"""Examine callable regions following genome mapping of short reads. Identifies callable analysis regions surrounded by larger regions lacking aligned bases. This allows parallelization of smaller chromosome chunks through post-processing and variant calling, with each sub-section mapping handled separately. Regions ...
SciLifeLab/bcbio-nextgen
bcbio/bam/callable.py
Python
mit
21,478
[ "pysam" ]
32497aa88bd91fcf62df67acb587018bafd2bbcd5e52678756538d75d3f86e92
from collections import OrderedDict from ase.io import read from ase.units import Bohr from pyDFTutils.ase_utils import symbol_number from pyDFTutils.ase_utils.kpoints import ir_kpts from pyDFTutils.wannier90.wannier import read_basis import pythtb import os import numpy as np from green import green_J class exchang...
mailhexu/pyDFTutils
pyDFTutils/wannier90/wann_green_J.py
Python
lgpl-3.0
7,727
[ "ASE", "Wannier90" ]
a42b5140b46e7b5bab5e016f54c3f7b69bf6f0dd6269fdca34c77216ad447842
# -*- coding: utf-8 # Copyright (C) 2012 - 2013, A. Murat Eren # # This program is free software; you can redistribute it and/or modify it under # the terms of the GNU General Public License as published by the Free # Software Foundation; either version 2 of the License, or (at your option) # any later version. # # Pl...
jooolia/oligotyping
Oligotyping/utils/blast.py
Python
gpl-2.0
14,512
[ "BLAST", "Biopython" ]
22ac195da66e3c684600d2734eb53a42c49fb9c1e4411062321083089e2b09f7
# -*- coding: utf-8 -*- ''' RVIC parameter file development driver ''' import os import numpy as np import pandas as pd from logging import getLogger from .core.log import init_logger, close_logger, LOG_NAME from .core.multi_proc import error from .core.utilities import make_directories, copy_inputs, strip_invalid_char...
UW-Hydro/RVIC
rvic/parameters.py
Python
gpl-3.0
26,943
[ "NetCDF" ]
099f29e98fe080c39aab33d2aefbbf8fab1dc3ca80ef5a49015fd86d882b15d0
from abc import ABCMeta, abstractmethod from matplotlib.backends.backend_qt5agg import ( NavigationToolbar2QT, FigureCanvasQTAgg as FigureCanvas) from matplotlib.figure import Figure __all__ = ["VtkVisualizer", "MplVisualizer"] try: import vtk from vtk.qt.QVTKRenderWindowInteractor import * class QV...
cklb/PyMoskito
pymoskito/visualization.py
Python
bsd-3-clause
3,666
[ "VTK" ]
0c0faa1ed49e07725a82896595795a266d1205ae0935a79ad569b7c9edec54c3
""" Simple demo showing how to use a more complicated kernel. This fits the data of CO_2 levels at Mauna Loa; see chapter 5 of Rasmussen and Williams. Note that we don't fit the hyperparameters as the values given below are reasonable and this would just take some time. """ import os import numpy as np import matplotl...
mwhoffman/pygp
pygp/demos/maunaloa.py
Python
bsd-2-clause
1,546
[ "Gaussian" ]
7ac9f3c4b1ec150bb4200f69103e408a831a19e4b816a1e26ba32bd6cabf8ddb
# Copyright (c) 2016-present, Facebook, 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...
Yangqing/caffe2
caffe2/python/layers/random_fourier_features.py
Python
apache-2.0
4,001
[ "Gaussian" ]
017fc7a0b7f0ef6438fd8c2c66c2ac786ead76e2c03120b5f6e9d7df5af871e9
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2017 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 #...
rmcgibbo/psi4public
psi4/driver/driver.py
Python
lgpl-3.0
110,664
[ "Gaussian", "Psi4" ]
e566c19c06d7e164015392e5327d66ff5aad44f5e67dd4cdd2f2dec5d6359670
# ar.po val = {" days." : "", "(all)" : "", "(any)" : "", "(anyone)" : "", "(available)" : "", "(blank)" : "", "(both)" : "", "(everyone)" : "", "(master user, not editable)" : "", "(no change)" : "", "(no deduction)" : "", "(none)" : "", "(unknown)" : "", "(use system)" : "", "({0} given, {1} remaining)" : "", "1 tre...
bobintetley/asm3
src/asm3/locales/locale_ar.py
Python
gpl-3.0
109,086
[ "Amber", "VisIt" ]
9f8a1705c3e2c2a1a1af298b0355632db8523d0b80ecebb4b29920114b42cadc
""" @name: Modules/House/Hvac/hvac_actions.py @author: D. Brian Kimmel @contact: D.BrianKimmel@gmail.com @copyright: (c) 2015-2019 by D. Brian Kimmel @license: MIT License @note: Created on Sep 11, 2015 @Summary: """ __updated__ = '2019-10-11' # Import system type stuff # Import PyMh files from Mod...
DBrianKimmel/PyHouse
Project/src/Modules/House/Hvac/hvac_actions.py
Python
mit
591
[ "Brian" ]
114cfa44994d58fd3542fa160edca6fc265c20dae7657d4b096d5a52c29117b0
# 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_ev2ha.py
Python
apache-2.0
647
[ "PySCF" ]
06283c81b38c94d35a9dc006d118e4ecae5e2628870854206ba3053a1b052ae3
## # Copyright 2009-2020 Ghent University # # This file is part of EasyBuild, # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en), # with support of Ghent University (http://ugent.be/hpc), # the Flemish Supercomputer Centre (VSC) (https://www.vscentrum.be), # Flemish Research Foundation (F...
pescobar/easybuild-easyblocks
easybuild/easyblocks/n/netcdf.py
Python
gpl-2.0
6,966
[ "NetCDF" ]
1caf6f4c74529e88ad11be1304cbc7caf9c103e6789005e12371e6bf8e154cb7
''' COMP 1021 Assignment 1 Written by: JOO, Minhyung Student ID: 20173164 Email: mjoo@stu.ust.hk OR melody10511@gmail.com ''' import pygame.midi # Import the midi module for playing music import time # Import the time module for the time.sleep function import turtle # Import the turtle module for t...
RavenJoo/comp1021
Music.py
Python
mit
10,475
[ "CRYSTAL" ]
d2b106f0b0e1542591932adad837d903d65ef3a65e9df702685d38dddc97693a
#!/usr/bin/env python # Copyright 2015 The Kubernetes 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 # # Unle...
manansaraf/kubernetes
hack/verify-flags-underscore.py
Python
apache-2.0
8,838
[ "VisIt" ]
ea125b824abea9f8f1e57d4b008addbd5e1511037f94e2d4a0faca8b3f798987
import pandas as pd from sklearn.ensemble import RandomForestClassifier from sklearn.ensemble import GradientBoostingClassifier from sklearn.ensemble import BaggingClassifier from sklearn.ensemble import AdaBoostClassifier from sklearn.ensemble import ExtraTreesClassifier from sklearn.neural_network import MLPClassifie...
rupakc/Kaggle-Compendium
Eye Movements Verfication and Identification Competition/eye-baseline.py
Python
mit
2,455
[ "Gaussian" ]
b8ad285c3522d2e479cd0290c6db3cda7977afce6c38506f18412c91be13d2bc
"""feedfinder: Find the Web feed for a Web page http://www.aaronsw.com/2002/feedfinder/ Usage: feed(uri) - returns feed found for a URI feeds(uri) - returns all feeds found for a URI >>> import feedfinder >>> feedfinder.feed('scripting.com') 'http://scripting.com/rss.xml' >>> >>> feedfinder.fe...
AllMyChanges/allmychanges.com
allmychanges/downloaders/utils/feedfinder.py
Python
bsd-2-clause
13,164
[ "Brian" ]
569f2f1789a2e6e6a3864d14738f730c39fe7c7fba73b339243bd7fa6e832ba4
# Copyright (C) 2009 by Eric Talevich (eric.talevich@gmail.com) # Based on Bio.Nexus, copyright 2005-2008 by Frank Kauff & Cymon J. Cox. # 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 pa...
bryback/quickseq
genescript/Bio/Phylo/NewickIO.py
Python
mit
9,674
[ "Biopython" ]
85897dbe09bafadb9409f199b9cd077c26b45ca05e19eb85ddf513bb7dfbd02a
import numpy as np from ase import Atom, Atoms from ase.structure import bulk from ase.units import Hartree, Bohr from gpaw import GPAW, FermiDirac from gpaw.response.bse import BSE GS = 1 bse = 1 df = 1 check_spectrum = 1 if GS: a = 6.75 * Bohr atoms = bulk('C', 'diamond', a=a) calc = GPAW(h=0.2, ...
qsnake/gpaw
gpaw/test/bse_diamond.py
Python
gpl-3.0
1,629
[ "ASE", "GPAW" ]
a20bbc7a4afeeb1eb57c3e572800a80d7e4ea7e52c5c3ca0e378d598a0b16a69
########################################################################### ## ## Copyright (C) 2006-2010 University of Utah. All rights reserved. ## ## This file is part of VisTrails. ## ## This file may be used under the terms of the GNU General Public ## License version 2.0 as published by the Free Software F...
VisTrails/vistrails-contrib-legacy
titan/__init__.py
Python
bsd-3-clause
2,615
[ "VTK" ]
5e316b88bdac167827ad8ad4a14369ddaaffb43d4200c83aed424a27ccb35273
# plot a simple molecule; requires pillow from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import Draw comp = Chem.MolFromSmiles('CN1C=NC2=C1C(=O)N(C)C(=O)N2C') comp.UpdatePropertyCache(strict=False) AllChem.Compute2DCoords(comp) Draw.MolToFile(comp, 'test_pillow_caffeine.png')
guowei-he/bioconda-recipes
recipes/rdkit/2016.03.3/run_test.py
Python
mit
300
[ "RDKit" ]
0286c25a1c7b85dc1a41bef5578d4f3a62334558a0b3917ebf3733c971b49d4c
#! /usr/bin/python ''' Demuxes miR from chimeric CLEAR-CLIP reads. ''' import argparse import operator import pysam import sys from Bio import SeqIO from collections import defaultdict from itertools import tee from itertools import islice from itertools import izip from StringIO import StringIO def determine_chime...
dkdeconti/CLEAR-CLIP_chimera-masking
demux.py
Python
mit
4,511
[ "pysam" ]
13fecf995613ce2df33829a9042c85decae220de27e987b4551a0c50ccff5930
# Copyright (C) 2018 Henrique Pereira Coutada Miranda # All rights reserved. # # This file is part of yambopy # """ Scripts to manipulate Quantum Espresso input files Also able to read output files in xml format (datafile.xml or datafile-schema.xml) """ import os class qepyenv(): PW = "pw.x" PH = "ph.x" ...
henriquemiranda/yambo-py
qepy/__init__.py
Python
bsd-3-clause
665
[ "Quantum ESPRESSO" ]
611925ecc47ad16a1c3aa57cc1e39254ee483898fc391e8d192b8923df364809