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# ##### BEGIN GPL LICENSE BLOCK ##### # # This program is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License # as published by the Free Software Foundation; either version 2 # of the License, or (at your option) any later version. # # This program is distrib...
nortikin/sverchok
nodes/logic/neuro_elman.py
Python
gpl-3.0
12,827
[ "NEURON" ]
25d6f9f9ebc0a683c429dc0041e3d728afac5120c2a4e01d1d97082dce88a275
#!/usr/bin/python # -*- coding: UTF-8 -*- # Introduction: This script is used to fetch pairwise core genomes between each strain pair. # It is better to put this script in ITEP directory. # Created by galaxy on 2016/10/21 15:11 import os import sys import shutil from collections import defaultdict from ...
cvn001/RecentHGT
src/fetch_pairwise_genome.py
Python
mit
3,100
[ "Galaxy" ]
f7af669743e22b20d62719a34017f181e726a7aba1d0bf063c9652a59acb398c
#!/usr/bin/env python ############################################################################## # # Usage example for the procedure PPXF, which # implements the Penalized Pixel-Fitting (pPXF) method by # Cappellari M., & Emsellem E., 2004, PASP, 116, 138. # The example also shows how to include a library of templa...
moustakas/impy
lib/ppxf/ppxf_kinematics_example_sauron.py
Python
gpl-2.0
8,518
[ "Galaxy", "Gaussian" ]
f337d7ef1da2d1cdfe5c328243bfb52abb9063695b0d2825823e34d3e3411f6a
#!/usr/bin/env python import datetime import shutil from copy import deepcopy from math import log, exp try: from math import inf except ImportError: inf = float("inf") from argparse import ArgumentParser import GetOrganelleLib from GetOrganelleLib.seq_parser import * from GetOrganelleLib.pipe_control_func imp...
Kinggerm/GetOrganelle
get_organelle_from_reads.py
Python
gpl-3.0
262,598
[ "BLAST" ]
9743c060a350421e38eb96137b5de8a6e4927d15fc8cf0300ef47891bc1c956e
#!/usr/bin/env python """ Artificial Intelligence for Humans Volume 2: Nature-Inspired Algorithms Python Version http://www.aifh.org http://www.jeffheaton.com Code repository: https://github.com/jeffheaton/aifh Copyright 2014 by Jeff Heaton Licensed under the Apache License, Versi...
trenton3983/Artificial_Intelligence_for_Humans
vol2/vol2-python-examples/examples/example_pso_iris.py
Python
apache-2.0
20,910
[ "VisIt" ]
832af39ad7f61bade0d07e76dd80addb7e2653204297beb3b28e9b65165a05f5
import numpy as np from enthought.mayavi import mlab import Image def disp_odf(sph_map, theta_res=64, phi_res=32, colormap='RGB', colors=256): pi = np.pi sin = np.sin cos = np.cos theta, phi = np.mgrid[0:2*pi:theta_res*1j, 0:pi:phi_res*1j] x = sin(phi)*cos(theta) y = sin(phi)*sin(theta) ...
StongeEtienne/dipy
scratch/odf.py
Python
bsd-3-clause
2,711
[ "Mayavi" ]
24b3c9472c959778b9242a99fa60a4b382af68e558cdef1f63a62fe980012dff
# =============================================== # MODULE STUDY: os import os reload(os) print '*----------------------------------------*' path = 'C:/' # nt path = '/' # linux print os.stat(path) print '*----------------------------------------*' print os.error # <type 'exceptions.OSError'> print os.erro...
madoodia/codeLab
python/modules_os.py
Python
mit
10,636
[ "VisIt" ]
43aa99dafa1ee0a7f5df3b32115342e213cfc49228a81693d97431cd5515e512
#!/usr/bin/python # script extract a particular genome region and compute a z-score piRNA signature # version 1 - 22-06-2012 # Usage bowtie_window_analysis.py <bowtie input> <geneID> <Upstream_coordinate> <Downstream_coordinate> <bowtie index> <output> import sys, subprocess from collections import defaultdict # requi...
JuPeg/tools-artbio
unstable/local_tools/bowtie_window_analysis.py
Python
mit
1,514
[ "Bowtie" ]
3b412a3264ebf666530b3ea82b718be6d026d39c0a92b54add14a16a8e468ba1
""" client_manual.py Copyright 2016 Brian Romanchuk Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0 Unless required by applicable law or agreed to ...
brianr747/Simple4Xpygame
clients/client_manual.py
Python
apache-2.0
1,507
[ "Brian" ]
11fade0adc6c7ccc54691e84aa91704d764db5e07cd570b2200954308bbde6de
# Information about the IUPAC alphabets protein_letters = "ACDEFGHIKLMNPQRSTVWY" extended_protein_letters = "ACDEFGHIKLMNPQRSTVWYBXZJUO" # B = "Asx"; aspartic acid or asparagine (D or N) # X = "Xxx"; unknown or 'other' amino acid # Z = "Glx"; glutamic acid or glutamine (E or Q) # http://www.chem.qmul.ac.uk/...
bryback/quickseq
genescript/Bio/Data/IUPACData.py
Python
mit
7,553
[ "BioPerl", "PyMOL" ]
97aa12dca31cb3eaa80b1d5aa9ab8382f992a70a3d7f19ded69ac75d0e300653
# Copyright 2013-2020 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) from spack import * import os class Dealii(CMakePackage, CudaPackage): """C++ software library providing well-docum...
rspavel/spack
var/spack/repos/builtin/packages/dealii/package.py
Python
lgpl-2.1
21,842
[ "NetCDF" ]
51c3d2981b1282238e31c47e5d493d30ca3c260f1373ba8b6f45f27f52d3abb4
#!/usr/bin/env python # # Copyright 2008 Jose Fonseca # # This program is free software: you can redistribute it and/or modify it # under the terms of the GNU Lesser General Public License as published # by the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. #...
hszer0/Explicator
xdot.py
Python
gpl-3.0
92,826
[ "FLEUR" ]
902c509d165d45a95cdd99d538a33706b3922bac415f8fa78549dc24ff18e75e
#!/usr/bin/env python ############################################################################### ## ## Copyright (C) 2006-2011, University of Utah. ## All rights reserved. ## Contact: contact@vistrails.org ## ## This file is part of VisTrails. ## ## "Redistribution and use in source and binary forms, with or with...
CMUSV-VisTrails/WorkflowRecommendation
scripts/system_info.py
Python
bsd-3-clause
3,215
[ "VTK" ]
e4ac7366187a57f132861786f8441d5c797d01cb0e2eae13c486d7ca4bc192ce
#!/usr/bin/env python from horton import * import h5py as h5 import os log.set_level(log.silent) def store_wfn(fn_h5, mixing, name_case, exp): with h5.File(fn_h5) as f: name_mixing = '%08.5f' % (-np.log10(mixing)) grp = f.require_group(name_mixing) grp = grp.require_group(name_case) ...
eustislab/horton
tools/convergence_tester/make_guesses.py
Python
gpl-3.0
4,368
[ "Gaussian" ]
c4b47e73f213380d9a20f91eb7b13fa4a1cb960f1ef158eb44315b0a40a8b713
import re import sys import datetime import AlphaSubstValidation import AlphaSubstPrep import AlphaSubstBaseMLBootstrap import AlphaSubstScoring import random def stop_err(msg): "Write the error message and exit" sys.stderr.write(msg) sys.exit() #Retrieve Data OutputFile = sys.argv[1] AnalysisType = sys.a...
jmchilton/galaxy-central
tools/mdea/AlphaSubst.py
Python
mit
9,343
[ "Galaxy" ]
e91da56b9b9f66c082981016ea36231d366c2c47a15192491cebb17ddb71c5a8
# # Copyright 2021 Lars Pastewka (U. Freiburg) # 2018 Jacek Golebiowski (Imperial College London) # # matscipy - Materials science with Python at the atomic-scale # https://github.com/libAtoms/matscipy # # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU Gen...
libAtoms/matscipy
matscipy/calculators/mcfm/qm_cluster_tools/qm_flagging_tool.py
Python
lgpl-2.1
11,970
[ "ASE", "Matscipy" ]
a498c4af6b6f058cd179853dea6a101d031a733d4a4c3a9f626461156904b24b
""" EC2Endpoint class is the implementation of the EC2 interface to a cloud endpoint """ from __future__ import print_function from __future__ import division from __future__ import absolute_import import os import json import boto3 from DIRAC import gLogger, S_OK, S_ERROR from DIRAC.Core.Utilities.File import m...
ic-hep/DIRAC
src/DIRAC/Resources/Cloud/EC2Endpoint.py
Python
gpl-3.0
7,540
[ "DIRAC" ]
9ceaabd78a6cfffa20366908bac5f56f88b9c351a481e6a36567025b32b5069b
# Copyright 2013-2020 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 platform import sys import os from spack import * class Namd(MakefilePackage): """NAMDis a parallel molecular...
rspavel/spack
var/spack/repos/builtin/packages/namd/package.py
Python
lgpl-2.1
5,399
[ "NAMD" ]
0ac8b31a40d3c7e5b1312d9bf2a1079b5488b8b7bcf3c03b15102d35031e54c0
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations class Migration(migrations.Migration): dependencies = [ ('visit', '0092_remove_visit_improvementissues'), ] operations = [ migrations.AddField( model_name='visit', ...
koebbe/homeworks
visit/migrations/0093_visit_improvementissues.py
Python
mit
497
[ "VisIt" ]
b660e9f1063b20499a170da02d9e2c5d8858888c0397906b4de9003548a21ca0
""" NeuroLearn Analysis Tools ========================= These tools provide the ability to quickly run machine-learning analyses on imaging data """ __all__ = ["Roc"] __author__ = ["Luke Chang"] __license__ = "MIT" import pandas as pd import numpy as np from nltools.plotting import roc_plot from scipy...
ljchang/nltools
nltools/analysis.py
Python
mit
13,305
[ "Gaussian" ]
2716f7bedb2430e654457f85d90f34403782d4668bb2dc228ed15d0e0b2df0eb
""" Imageutils unit tests. """ from __future__ import division import unittest import numpy as np from astraviso import imageutils as iu class imageutilstests(unittest.TestCase): """ Imageutils unit test class. """ def setUp(self): pass def tearDown(self): pass class test_poisson_...
bradsease/astra-viso
astraviso/test/imageutils.py
Python
mit
7,601
[ "Gaussian" ]
27219aa38f29f9e407231a6a73bfd7ed32aa7103ad3ae0dc5bff7e53a4355b99
#!/usr/bin/env python # encoding: utf-8 """description: Cororado PGEM models """ __version__ = "0.1" __author__ = "@boqiling" __all__ = ["PGEMBase", "DUT", "DUT_STATUS", "Cycle"] from base import PGEMBase from dut import DUT, DUT_STATUS, Cycle class Crystal(PGEMBase): pass class Saphire(PGEMBase): PGEM_ID ...
fanmuzhi/UFT
src/UFT/models/__init__.py
Python
gpl-3.0
564
[ "CRYSTAL" ]
d4600926e9f5b6fb8c36df5d0186a38a6337b14d49b67944bbc25b3d14cb897e
# Ask vnc text spoke # # Copyright (C) 2013 Red Hat, Inc. # # This copyrighted material is made available to anyone wishing to use, # modify, copy, or redistribute it subject to the terms and conditions of # the GNU General Public License v.2, or (at your option) any later version. # This program is distributed in the...
wgwoods/anaconda
pyanaconda/ui/tui/spokes/warnings_spoke.py
Python
gpl-2.0
2,529
[ "Brian" ]
4dacb6f0253d4a4f8c2613ca1ce3f50f7ce3fed2d683b49625a3ad7196caf767
#!/usr/bin/env python """Miscellaneous wrapper functions to Schrodinger's computational chemistry tools.""" import os import sys import csv import shutil import logging import subprocess import mdtraj from openmoltools import utils logger = logging.getLogger(__name__) def run_and_log_error(command): """Run t...
choderalab/openmoltools
openmoltools/schrodinger.py
Python
mit
11,742
[ "MDTraj" ]
bcd858b882d840b989cc7b5089812644dd20adb03568ea76af05f6166726a482
__author__ = 'BisharaKorkor' import numpy as np from math import exp, pow, sqrt, pi, fmod def movingaverage(a, w): """ An array b of length len(a)-w is returned where b_n = (a_n + a_n-1 + ... + a_n-w)/w """ return [np.mean(a[i:i+w]) for i in range(len(a)-w)] def gaussiankernel(sigma, width): """Generates...
BishKor/pyboon
arrayoperations.py
Python
mit
2,659
[ "Gaussian" ]
fe0ce18f4025cc1f6db9b26ef977ae1b2447a44fe7518dce36acc1b3453aab1f
""" expectmax.py Implementation of the expectation-maximisation algorithm used to fit a multivariate gaussian mixture model of moving groups' origins to a data set of stars, measured in Cartesian space, centred on and co-rotating with the local standard of rest. This module is in desperate need of a tidy. The entry p...
mikeireland/chronostar
chronostar/expectmax.py
Python
mit
73,596
[ "Gaussian" ]
73fc9717ff2fc33cda34118e7b948e92b1b7aa831b5fb3362a1e6d6e1ccaa7c6
# Copyright (c) 2015, Scott J Maddox. All rights reserved. # Use of this source code is governed by the BSD-3-Clause # license that can be found in the LICENSE file. import os import sys fpath = os.path.abspath(os.path.join(os.path.dirname(__file__), '../fdint/dgfd.pyx')) with open...
scott-maddox/fdint
scripts/gen_dgfd_pyx.py
Python
bsd-3-clause
1,395
[ "DIRAC" ]
2eb32b104ebbc0e847ac1bad9767f5fd648b508d946ae29c179b56331a41f7f6
######################################################################## # # (C) 2015, Brian Coca <bcoca@ansible.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation...
2ndQuadrant/ansible
lib/ansible/galaxy/role.py
Python
gpl-3.0
16,264
[ "Brian", "Galaxy" ]
b60fde4b79dd94672656d719e82ad13dd60d15f3c17672da9a20977d3e839ad1
#import warnings #warnings.filterwarnings("ignore", message="using a non-integer number instead of an integer will result in an error in the future") def template_names(): import glob as glob template_files = glob.glob('miles_models/Mun*.fits') return template_files def choose_templates(templates, age_lim = 20.0,...
zpace/SparsePak-SFH
fake_galaxies.py
Python
mit
17,002
[ "Gaussian" ]
ad66898e3e988eec6a8fe718026c5f396cf8025fe2749e85ac6aea840b779f66
#!/usr/bin/env python # -*- coding: utf-8 -*- """Time Domain Electromagnetics (TDEM) functions and class""" import sys from math import pi import numpy as np import matplotlib.pyplot as plt import pygimli as pg from . vmd import VMDTimeDomainModelling def rhoafromU(U, t, Tx, current=1.0, Rx=None): r"""Apparent re...
gimli-org/gimli
pygimli/physics/em/tdem.py
Python
apache-2.0
16,310
[ "VMD" ]
213a7ac776868c9cd0a2151085ed7f32533d1dacb56531fd17bc39ff679fdb16
# -*- coding: utf-8 -*- """ The :mod:`sklearn.metrics.pairwise` submodule implements utilities to evaluate pairwise distances or affinity of sets of samples. This module contains both distance metrics and kernels. A brief summary is given on the two here. Distance metrics are a function d(a, b) such that d(a, b) < d(...
depet/scikit-learn
sklearn/metrics/pairwise.py
Python
bsd-3-clause
29,572
[ "Gaussian" ]
f5e773f18f469de1eb7f36a6e0b6bbc90aafc014c7bc7d1199cd1a1917d7b97a
from __future__ import unicode_literals from frappe import _ def get_data(): return [ { "label": _("Sales Pipeline"), "icon": "fa fa-star", "items": [ { "type": "doctype", "name": "Lead", "description": _("Database of potential customers."), "onboard": 1, }, { "type": "...
Zlash65/erpnext
erpnext/config/crm.py
Python
gpl-3.0
4,679
[ "VisIt" ]
88bd9de5e23744164ecd7fedda95aebe7a103a18c03aa9026f1e3ed47550cb65
# Copyright (C) 2010-2019 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later v...
pkreissl/espresso
testsuite/python/lb_boundary_volume_force.py
Python
gpl-3.0
3,425
[ "ESPResSo" ]
a2bb68f022ca049df92ad49ad19f36a7653fc76e6327d5b34ed795da0af9259a
# (c) 2014, Ovais Tariq <me@ovaistariq.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, either version 3 of the License, or # (at your option) any later version. # # This program is dist...
ovaistariq/datadog-agent-checks
mysql_sys.py
Python
gpl-3.0
7,470
[ "VisIt" ]
19fb8af10eaa130e3b7cf17230e4b63d077e7b6961676beaec2b5f3748e0d77f
""" Codes for creating and manipulating gate filters. New functions: use of trained Gaussian Mixture Models to remove noise and clutter from CPOL data before 2009. @title: filtering.py @author: Valentin Louf <valentin.louf@bom.gov.au> @institutions: Monash University and the Australian Bureau of Meteorology @created: ...
vlouf/cpol_processing
cpol_processing/filtering.py
Python
mit
9,055
[ "Gaussian" ]
b57a3c97ef1879760983ef025c83f50b5884c630ae133a1382359ef6b453fe50
# -*- coding: UTF-8 -*- """ Data literal storing emoji names and unicode codes """ __all__ = ['EMOJI_UNICODE', 'UNICODE_EMOJI', 'EMOJI_ALIAS_UNICODE', 'UNICODE_EMOJI_ALIAS'] EMOJI_UNICODE = { u':1st_place_medal:': u'\U0001F947', u':2nd_place_medal:': u'\U0001F948', u':3rd_place_medal:': u'\U0001F949',...
vjmac15/Lyilis
lib/emoji/unicode_codes.py
Python
gpl-3.0
195,719
[ "FLEUR", "Octopus" ]
dd76adca880b1b9adfd0a41932b616907deedc6e65320e1550ebf6ec93e756a2
# Hidden Markov Model Implementation import pylab as pyl import numpy as np import matplotlib.pyplot as pp from enthought.mayavi import mlab import scipy as scp import scipy.ndimage as ni import scipy.io import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import rospy import hrl_lib.mayavi2_util as mu impor...
tapomayukh/projects_in_python
sandbox_tapo/src/AI/Code for Project-3/HMM Code/hmm_crossvalidation_force_20_states.py
Python
mit
17,322
[ "Gaussian", "Mayavi" ]
b1e9cfcecfed31467178823a43308c87b7dce1060ced4db82d5dbee7236b8078
#!/usr/bin/python -O ############################################################################ # Copyright (c) 2015 Saint Petersburg State University # Copyright (c) 2011-2014 Saint Petersburg Academic University # All Rights Reserved # See file LICENSE for details. #################################################...
INNUENDOWEB/INNUca
src/SPAdes-3.11.0-Linux/share/spades/spades_pipeline/corrector_logic.py
Python
gpl-3.0
2,484
[ "BWA" ]
6b6ec537f80ab43597839f31a0e961f78926ae2570dfba648e7124652cc68ec5
""" LMS Course Home page object """ from collections import OrderedDict from bok_choy.page_object import PageObject from .bookmarks import BookmarksPage from .course_page import CoursePage from .courseware import CoursewarePage from .staff_view import StaffPreviewPage class CourseHomePage(CoursePage): """ ...
miptliot/edx-platform
common/test/acceptance/pages/lms/course_home.py
Python
agpl-3.0
8,981
[ "VisIt" ]
7a19d9ad11514dd4e2bf90521d831b820c1c9ccfaf26785cadb5b1f78b5fe0d4
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # unit - some simple unit tests against migfs # Copyright (C) 2003-2011 The MiG Project lead by Brian Vinter # # This file is part of MiG. # # MiG is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public ...
heromod/migrid
mig/migfs-fuse/unit.py
Python
gpl-2.0
7,325
[ "Brian" ]
66bde0b2d3850e36f93cb9c8b6b73382902ce403f6fe3b298c9278e8bd8f2f04
"""Predictor classes.""" from abc import ABC, abstractmethod import logging from typing import Iterable, Sequence import acton.database import acton.kde_predictor import GPy as gpy import numpy import sklearn.base import sklearn.linear_model import sklearn.model_selection import sklearn.preprocessing from numpy.rando...
chengsoonong/acton
acton/predictors.py
Python
bsd-3-clause
26,833
[ "Gaussian" ]
8e74b5c356cca0328f890651985ad1d9cf9c69dc3b7a0daf3ff6a79d1c17e143
from com.im.lac.types import MoleculeObjectIterable from com.im.lac.util import StreamProvider from com.im.lac.util import CloseableMoleculeObjectQueue from com.im.lac.types import MoleculeObject from java import lang import sys from java.util import ArrayList from java.util.stream import Stream from java.lang import T...
InformaticsMatters/squonk
components/rdkit-camel/src/main/python/molecule_objects.py
Python
apache-2.0
1,872
[ "RDKit" ]
0c8549ccdd15ffb166410271570764996f1dfac64c254834bcc3081fc068dd88
# Copyright (c) 2013, Web Notes Technologies Pvt. Ltd. and Contributors # License: GNU General Public License v3. See license.txt from __future__ import unicode_literals import frappe import frappe.utils from frappe.utils import cstr, flt, getdate, comma_and from frappe import _ from frappe.model.mapper import get_m...
gangadharkadam/office_erp
erpnext/selling/doctype/sales_order/sales_order.py
Python
agpl-3.0
13,651
[ "VisIt" ]
ba33e2822bc032ac031c391d693465f49b2585e7acefa20a143be5dd6b1f7dfd
"""Defines the HTTPError class. Copyright 2013 by Rackspace Hosting, 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 applicab...
openilabs/falconlab
env/lib/python2.7/site-packages/falcon/http_error.py
Python
mit
4,535
[ "VisIt" ]
f66705aac4080dbb357cb770bd244edab68fdd49a57ac10f44ff75eda9de9819
# pylint: disable=arguments-differ """ Models for the shopping cart and assorted purchase types """ from collections import namedtuple from datetime import datetime from datetime import timedelta from decimal import Decimal import json import analytics from io import BytesIO from django.db.models import Q, F import py...
chrisndodge/edx-platform
lms/djangoapps/shoppingcart/models.py
Python
agpl-3.0
91,666
[ "VisIt" ]
3b7af1650888bb1fe1a2cbd573afb1292221ec53c27b8d5d178172a6e21c70e0
# Principal Component Analysis Code : from numpy import mean,cov,double,cumsum,dot,linalg,array,rank,size,flipud from pylab import * import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy.ndimage as ni import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import ro...
tapomayukh/projects_in_python
classification/Classification_with_kNN/Multiple_Contact_Classification/Final_New_classify_2_objects_2_categories_1200ms_scaled.py
Python
mit
12,548
[ "Mayavi" ]
868422c64d90bb8372c8fafb374d28438b00f7af70edbebf7654a4825b626fbc
import numpy as np import scipy.special as sps def wixi(x): """ Complex Error Function (Faddeeva/Voigt). w(i*x) = exp(x**2) * ( 1-erf(x) ) This function is called by other functions within this module. We are using the scipy.special.wofz module which calculates w(z) = exp(-z**2) * ...
paulmueller/PyCorrFit
pycorrfit/models/MODEL_TIRF_gaussian_1C.py
Python
gpl-2.0
8,849
[ "Gaussian" ]
610f5ae1cff88e7c3be41ea5417bdf3b831e0abb9b0a9319d59e25a86d4f229c
# 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/core/optimizer_test.py
Python
apache-2.0
8,526
[ "Gaussian" ]
065511a319388c9dbe05cb11bb5be7c0f695856aad60cbf9cee8b85caf11dc72
#! /usr/bin/env python """Generate Java code from an ASDL description.""" # TO DO # handle fields that have a type but no name import os, sys, traceback import asdl TABSIZE = 4 MAX_COL = 100 def reflow_lines(s, depth): """Reflow the line s indented depth tabs. Return a sequence of lines where no line exte...
alvin319/CarnotKE
jyhton/ast/asdl_antlr.py
Python
apache-2.0
37,458
[ "VisIt" ]
8671e63ad5752a5adac68d78838260b503191ab4f6c21f2fd174891c2444384d
""" Basic visualization of neurite morphologies using matplotlib. Usage is restricted to morphologies in the sWC format with the three-point soma `standard <http://neuromorpho.org/neuroMorpho/SomaFormat.html>`_ """ import sys,time import os, sys from matplotlib.cm import get_cmap from Crypto.Protocol.AllOrNothing imp...
RoozbehFarhoodi/McNeuron
McNeuron/visualize.py
Python
mit
27,682
[ "NEURON" ]
b640b872edf49cbc4df887a0bcef83d9dda96b431f00aefbe4ecb68113ce3791
from brian import (NeuronGroup, Network, StateMonitor, second, ms, volt, mV) import numpy as np import matplotlib.pyplot as plt network = Network() XT = -50*mV DeltaT = 0.05*mV/ms eqs = "dX/dt = DeltaT*exp((X-XT)/DeltaT) : volt" neuron = NeuronGroup(1, eqs, threshold="X>=XT", reset=-65*mV) neuron.X...
achilleas-k/brian-scripts
expo_iaf.py
Python
apache-2.0
502
[ "Brian", "NEURON" ]
43eb5fd95b8637b06b93fbd00933a9ff2d60c341fb8e7eb983d2427561fb5877
"""Tests for setendings.py. Checks that `end_lineno` and `end_col_offset` node properties are set. """ import unittest from python_ta.transforms.setendings import * PATH = 'examples/ending_locations/' class TestEndingLocations(unittest.TestCase): """The method, ending_transformer.visit(module) walks the given a...
RyanDJLee/pyta
tests/test_setendings.py
Python
gpl-3.0
20,344
[ "VisIt" ]
84a783ceb6ee6b2ff135d03c7ace6c0573bda29753868e85d3d8a6e5393c05cc
from brainiak.eventseg.event import EventSegment from scipy.special import comb import numpy as np import pytest from sklearn.exceptions import NotFittedError def test_create_event_segmentation(): es = EventSegment(5) assert es, "Invalid EventSegment instance" def test_fit_shapes(): K = 5 V = 3 ...
lcnature/brainiak
tests/eventseg/test_event.py
Python
apache-2.0
5,227
[ "NEURON" ]
b32f7bf02849be47ef7bbad46cedb9f54875ce89d97389945246672ed50284f0
# -*- coding:utf-8 -*- # # Copyright 2012 NAMD-EMAP-FGV # # This file is part of PyPLN. You can get more information at: http://pypln.org/. # # PyPLN is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either vers...
flavioamieiro/pypln.web
pypln/web/core/tests/views/test_corpus.py
Python
gpl-3.0
8,500
[ "NAMD" ]
7528066fa3a7f70c7efb8f4ac3f2981336da19d1919f2ac7ddc490cffcfc61b2
# -*- coding: utf-8 -*- # Author: Óscar Nájera # License: 3-clause BSD """ Sphinx-Gallery Generator ======================== Attaches Sphinx-Gallery to Sphinx in order to generate the galleries when building the documentation. """ from __future__ import division, print_function, absolute_import import codecs import ...
Eric89GXL/sphinx-gallery
sphinx_gallery/gen_gallery.py
Python
bsd-3-clause
32,422
[ "Mayavi" ]
703555067397bb99ccb2896386b3a4e46233489e2eff8a9e7143891c435b9f36
""" Taken from https://github.com/brentp/pyfasta/blob/452d1ce5406ed73c4149b6d201bc65e4aa8afc27/tests/bench.py """ from itertools import islice from tempfile import NamedTemporaryFile import pyfaidx import pyfasta import pysam from Bio import SeqIO import time import random import os import sys from subprocess import c...
mattions/pyfaidx
scripts/benchmark.py
Python
bsd-3-clause
8,301
[ "pysam" ]
e8c6c4449758f2ee3407c5b212293cf27c9699c0976718764e1dc92a1c7c8caf
# 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 agreed ...
google-research/ott
ott/tools/gaussian_mixture/fit_gmm_pair.py
Python
apache-2.0
12,305
[ "Gaussian" ]
72b723ff337f69cad94b1009ed9d64b0d0d8deac4fa64cfcddc8177d0b9e2848
from cached_property import cached_property from pathlib import Path from qgis.PyQt.QtCore import pyqtSignal from qgis.PyQt.QtCore import Qt from ThreeDiToolbox.datasource.threedi_results import ThreediResult from ThreeDiToolbox.models.base import BaseModel from ThreeDiToolbox.models.base_fields import CheckboxField fr...
nens/threedi-qgis-plugin
tool_result_selection/models.py
Python
gpl-3.0
8,337
[ "NetCDF" ]
f6ac1d0fae3c7eba5414fa24481ebe40589204375d03b3383dc823c05904f0a5
import os import warnings # cmr calls all available methods in ase.atoms detected by the module inspect. # Therefore also deprecated methods are called - and we choose to silence those warnings. warnings.filterwarnings('ignore', 'ase.atoms.*deprecated',) from ase.test import NotAvailable # if CMR_SETTINGS_FILE is mis...
grhawk/ASE
tools/ase/test/cmr/ase_rw.py
Python
gpl-2.0
1,194
[ "ASE" ]
5034f5449c418ea81a7da4e44d22c8085a441a9679edc2a5405df1cb7247f8bb
import tensorflow as tf # neural network for function approximation import gym # environment import numpy as np # matrix operation and math functions from gym import wrappers import gym_morph # customized environment for cart-pole import matplotlib matplotlib.use('Agg') import matplotlib.pyplot as plt import time star...
GitYiheng/reinforcement_learning_test
test03_monte_carlo/t31_rlvps07_hn16_clr0p003.py
Python
mit
7,660
[ "NEURON" ]
7086f8113b0f47b01ceccc69170064eaf7ea64d22d9a0666f8c5867e5aeb65ef
#!/usr/bin/env python3 """ This script is a python version of TimingAccuracyDHC. We use numpy functions to simplify the creation of random coefficients. """ import time import numpy as np from pyshtools import expand from pyshtools import spectralanalysis # ==== MAIN FUNCTION ==== def main(): TimingAccuracyDHC(...
MarkWieczorek/SHTOOLS
examples/python/TimingAccuracy/TimingAccuracyDHC.py
Python
bsd-3-clause
2,762
[ "Gaussian" ]
ed9e8c9bf85bd8224001d776abeee511ce00243901770ac82d3ff91b6e40d758
# ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # --------------------------------------------...
gregcaporaso/scikit-bio
skbio/diversity/alpha/tests/test_faith_pd.py
Python
bsd-3-clause
8,646
[ "scikit-bio" ]
fee044def915af522e9ef2c110f12e70e84faf2cc0e386507f16d7faa12c53b6
#!/usr/bin/env python # # Appcelerator Titanium Module Packager # # import os, sys, glob, string import zipfile from datetime import date cwd = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) os.chdir(cwd) required_module_keys = ['name','version','moduleid','description','copyright','license','co...
arnaudsj/titanium_mobile
support/module/iphone/templates/build.py
Python
apache-2.0
5,924
[ "VisIt" ]
5e22d195b1cb3abff0461e2ab393108ce3d4c11a9303c67d0fb6288f433ba72b
#!/usr/bin/env python # -*- coding: utf-8 -*- """ Program to compare models using different compute engines. This program lets you compare results between OpenCL and DLL versions of the code and between precision (half, fast, single, double, quad), where fast precision is single precision using native functions for tr...
SasView/sasmodels
sasmodels/compare.py
Python
bsd-3-clause
62,003
[ "Gaussian" ]
75732db330232b971f5a0d228969683fed7d7cc8e0b5902e2794e822bf256c13
# -*- coding: utf-8 -*- ''' diacamma.event package @author: Laurent GAY @organization: sd-libre.fr @contact: info@sd-libre.fr @copyright: 2016 sd-libre.fr @license: This file is part of Lucterios. Lucterios is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as...
Diacamma2/asso
diacamma/event/tests.py
Python
gpl-3.0
12,538
[ "Dalton" ]
771c40f0d4852a640c9780290855fcca414f4b1afd758add88cc64cfdf68b7dc
#!/bin/bash """This file hold the function run_mcmc, which takes a trained emulator and a set of truth data and runs and MCMC analysis with a predefined number of steps and walkers.""" from time import time from multiprocessing import cpu_count, Pool import warnings from itertools import izip from os import path ...
mclaughlin6464/pearce
pearce/inference/run_mcmc.py
Python
mit
26,088
[ "Gaussian" ]
0d6cf0a4c03cae33b8f16f1993d5b6482ff6e802acd7034f4e1d7d20a32b5db2
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007-2008 Brian G. Matherly # Copyright (C) 2008 Gary Burton # # 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 v...
pmghalvorsen/gramps_branch
gramps/gen/plug/menu/_note.py
Python
gpl-2.0
1,777
[ "Brian" ]
2b38d31c86a1156f0c9ea41b8853f99e977908e537ab2a94cc00e8a041d88092
#!/usr/bin/env python ######################################################################## # File : dirac-agent # Author : Adria Casajus, Andrei Tsaregorodtsev, Stuart Paterson ######################################################################## """ This is a script to launch DIRAC agents. Mostly internal. ""...
DIRACGrid/DIRAC
src/DIRAC/Core/scripts/dirac_agent.py
Python
gpl-3.0
1,520
[ "DIRAC" ]
bb5335a5da0676c83f9bb1a023111c05424bc3527768153d1ea72f5ed752a2ea
# Cycles Mineways setup # Version 1.3.0, 5/28/16 # Copyright © 2016 # Please send suggestions or report bugs at https://github.com/JMY1000/CyclesMineways/ # 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 Foundat...
JMY1000/CyclesMineways
CyclesMineways.py
Python
gpl-3.0
46,368
[ "VisIt" ]
7d316a43271c6b09b3e043d667c085be0d35833751c765b0632e076aaa33300d
import os from datetime import datetime from django.test import SimpleTestCase from django.utils.functional import lazystr from django.utils.html import ( conditional_escape, escape, escapejs, format_html, html_safe, json_script, linebreaks, smart_urlquote, strip_spaces_between_tags, strip_tags, urlize, ) from...
nesdis/djongo
tests/django_tests/tests/v22/tests/utils_tests/test_html.py
Python
agpl-3.0
11,720
[ "ADF" ]
e71fdab3a5bc021e61386024fc8bbaa18e1c4a7038144047a58378845ca58bb3
import copy import numpy as np import numpy.random as rng from utils import randh from numba import jit # How many parameters are there? num_params = 3 # Some data data = np.loadtxt("road.txt") N = data.shape[0] # Number of data points # Plot the data import matplotlib.pyplot as plt plt.plot(data[:,0], data[:,1], "o...
eggplantbren/NSwMCMC
python/straightline.py
Python
gpl-2.0
1,954
[ "Gaussian" ]
5aad979a4ab8fa1847dfedb05a05cad5dc0df920fb62c7ff63cd116159e45b6c
from threading import Lock class ResponsibleGenerator(object): """A generator that will help clean up when it is done being used.""" __slots__ = ["cleanup", "gen"] def __init__(self, gen, cleanup): self.cleanup = cleanup self.gen = gen def __del__(self): self.cleanup() ...
RDFLib/rdflib
rdflib/plugins/stores/concurrent.py
Python
bsd-3-clause
2,709
[ "VisIt" ]
9badfedfb8716ec1d997cbccb6e0dbd4fb4a01dc8762577229cc25023ac02b23
''' Created on Aug 5, 2014 @author: gearsad ''' import vtk import numpy from math import sin,cos from SceneObject import SceneObject class LIDAR(SceneObject): ''' A template for drawing a LIDAR point cloud. Ref: http://stackoverflow.com/questions/7591204/how-to-display-point-cloud-in-vtk-in-different-colo...
GearsAD/semisorted_arnerve
sandbox/bot_vis_platform_post3b/scene/LIDAR.py
Python
mit
3,811
[ "VTK" ]
a42f29b85d56782e946c279a7912cf8cbc884f52105cba11251596c03508a4bc
""" ========================== FastICA on 2D point clouds ========================== This example illustrates visually in the feature space a comparison by results using two different component analysis techniques. :ref:`ICA` vs :ref:`PCA`. Representing ICA in the feature space gives the view of 'geometric ICA': ICA...
DailyActie/Surrogate-Model
01-codes/scikit-learn-master/examples/decomposition/plot_ica_vs_pca.py
Python
mit
3,329
[ "Gaussian" ]
f80535f5f58450012442742aaa57ec546ec732ed8e66083f8b75428ae4dd2fe9
# -*- coding: utf-8 -*- import datetime from south.db import db from south.v2 import SchemaMigration from django.db import models class Migration(SchemaMigration): def forwards(self, orm): # Adding model 'ArticleMetaDataMap' db.create_table('neuroelectro_articlemetadatamap', ( ...
neuroelectro/neuroelectro_org
neuroelectro/south_migrations/0061_auto__add_articlemetadatamap.py
Python
gpl-2.0
31,187
[ "NEURON" ]
8ea1459809ae5ff787e215297f558e0a732a24dbce2063d0d4ba696e2f19b908
#!/usr/bin/env python #coding=utf-8 import urllib import base64 import hmac import time from hashlib import sha1 as sha import os import md5 import StringIO from threading import Thread import threading import ConfigParser from oss_xml_handler import * #LOG_LEVEL can be one of DEBUG INFO ERROR CRITICAL WARNNING LOG_LE...
matrixorz/justpic
justpic/third/oss/oss_util.py
Python
mit
36,295
[ "NetCDF" ]
72b1c935d75386f248e53e632489e5c4a592e9b9026ddb9c94985446d478fdaf
# -*- coding: utf-8 -*- # MDclt.primary.amber.log.py # # Copyright (C) 2012-2015 Karl T Debiec # All rights reserved. # # This software may be modified and distributed under the terms of the # BSD license. See the LICENSE file for details. """ Classes for transfer of AMBER simulation logs to h5 """ ##########...
KarlTDebiec/MDclt
primary/amber/log.py
Python
bsd-3-clause
14,006
[ "Amber" ]
5bb9e215fb008c31708d60e32ebc7ebe577f03d41bb877645159cf7959048277
import os, sys, re from Bio import pairwise2 from Bio.Blast import NCBIXML from Bio.SubsMat.MatrixInfo import blosum62 import gzip import optparse import subprocess from jaspar.settings import BASE_DIR ''' The original code is available in motif_inferrer.py. This is modified by Aziz Khan <azez.khan@gmail.com> on May ...
asntech/jaspar
utils/motif_inferrer/inferrer.py
Python
bsd-3-clause
9,890
[ "BLAST" ]
8ffceed2e45f33254a1c90f55fe565979ca3fafd8592bc98a29f9ec1d783400f
import argparse import inspect import logging import json import base64 from docstring_parser import parse from flask import Flask, request from flask_restx import Api, Resource, fields, abort from flask_cors import CORS from indra import get_config from indra.sources import trips, reach, bel, biopax, eidos from indr...
johnbachman/indra
rest_api/api.py
Python
bsd-2-clause
39,694
[ "Cytoscape" ]
6346c02f370f7d9eaf532dbbde371c84ea3d5dd3c70a81cdde8ad3c07c754a96
from openmm_systems.test_systems import ( LennardJonesPair, LysozymeImplicit, ) import simtk.openmm.app as omma import simtk.openmm as omm import simtk.unit as unit from wepy.runners.openmm import gen_sim_state import time def create_sim(): test_sys = LysozymeImplicit() integrator = omm.LangevinInt...
ADicksonLab/wepy
jigs/trio_mapper/source/sync_openmm.py
Python
mit
1,288
[ "OpenMM" ]
4165b3ae598bfb555f85e9b45100d96f06a8ccd926eb84c2445328656ca6145e
# Copyright (c) 2013, Web Notes Technologies Pvt. Ltd. # License: GNU General Public License v3. See license.txt from __future__ import unicode_literals import webnotes from webnotes import session, msgprint from webnotes.utils import today,add_days,cint,nowdate,formatdate sql = webnotes.conn.sql from utilities.t...
gangadhar-kadam/sapphire_app
support/doctype/customer_issue/customer_issue.py
Python
agpl-3.0
3,002
[ "VisIt" ]
06076fffe95317533a114c001eb777f6cee22616a8fba9dbaece22b4100efa91
""" Loads synthetic reaction datasets from USPTO. This file contains loaders for synthetic reaction datasets from the US Patenent Office. http://nextmovesoftware.com/blog/2014/02/27/unleashing-over-a-million-reactions-into-the-wild/. """ import os import csv import logging import deepchem import numpy as np from deepc...
lilleswing/deepchem
deepchem/molnet/load_function/uspto_datasets.py
Python
mit
3,783
[ "RDKit" ]
f645712ea5bad992601456acedee6efd2a72c942a869c5b3699a1c94968f4ee1
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals from functools import reduce try: # New Py>=3.5 import from math import gcd except ImportError: # Deprecated import from Py3.5 onwards. from fra...
matk86/pymatgen
pymatgen/core/surface.py
Python
mit
55,689
[ "pymatgen" ]
6f2c3212a24b5087b890fd4ef8085f46e86c726c27f4a5f71dcb24a838db53e0
""" core implementation of testing process: init, session, runtest loop. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function import contextlib import functools import os import pkgutil import sys import warnings import attr import py import six import _pyt...
hackebrot/pytest
src/_pytest/main.py
Python
mit
25,480
[ "VisIt" ]
111fe939298b33c18d54f44b9d328e22b9a1bf92aa940a38cf016ee8921e40e3
# -*- coding: utf-8 -*- # # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2010-2012 Gary Burton # GraphvizSvgParser is based on the Gramps XML import # DotSvgGenerator is based on the relationship graph # report. # ...
gramps-project/addons-source
GraphView/graphview.py
Python
gpl-2.0
167,934
[ "FLEUR" ]
3f99aca903a0b50b1d80f3debf66565020209cefc2608e51100384479ca9e83f
# Copyright (c) Mathias Kaerlev 2012. # This file is part of Anaconda. # Anaconda 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. # ...
joaormatos/anaconda
mmfparser/player/extensions/LacewingServer/__init__.py
Python
gpl-3.0
47,484
[ "BLAST" ]
abd126338ea562f2ac6fe152ebe1e10190b49e61b108b1f8f54023bf84c0e832
''' CacheFeederAgent This agent feeds the Cache tables with the outputs of the cache commands. ''' from DIRAC import S_OK from DIRAC.AccountingSystem.Client.ReportsClient import ReportsClient from DIRAC.Core.Base.AgentModule ...
vmendez/DIRAC
ResourceStatusSystem/Agent/CacheFeederAgent.py
Python
gpl-3.0
5,763
[ "DIRAC" ]
e115257f90adcfe146e690a56844951d8473ef1d4f140af1e8552564c186dcff
# # @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/qcdb/jajo.py
Python
lgpl-3.0
17,941
[ "Avogadro", "CFOUR", "Psi4" ]
512bd1ce1f0e12904193b7288c716d912d79cf2b995eb5f68bf4708a5f694c9c
# 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...
bryback/quickseq
genescript/Bio/PDB/Polypeptide.py
Python
mit
14,402
[ "Biopython" ]
f67968d3f43e9e44dc0c942d4d39cf962b096d09afba6829431d2a046caf6095
""" TESTS is a dict with all you tests. Keys for this will be categories' names. Each test is dict with "input" -- input data for user function "answer" -- your right answer "explanation" -- not necessary key, it's using for additional info in animation. """ TESTS = { "Basics": [ { ...
Bryukh-Checkio-Tasks/checkio-mission-family-gifts
verification/tests.py
Python
mit
5,048
[ "Amber" ]
ff7be966cb866c0045324dbe55ed68151b1f4427c2554f6a3e0b59c2d02c489f
# -*- coding: utf-8 -*- # pylint: disable=line-too-long import os import sys import glob import numpy import string from collections import Counter import anvio __author__ = "Developers of anvi'o (see AUTHORS.txt)" __copyright__ = "Copyleft 2015-2018, the Meren Lab (http://merenlab.org/)" __credits__ = [] __license...
meren/anvio
anvio/constants.py
Python
gpl-3.0
25,794
[ "pysam" ]
5ad9a220852e715dd3a58d35fac6f94ec81326bed043bbc3a0e1664bbcb408f6
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=120 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # ------------------------------------------------------...
marmyshev/item_title
openlp/plugins/songs/lib/openlyricsexport.py
Python
gpl-2.0
4,641
[ "Brian" ]
8e68a0e2a3f63e9a63004412ce1d0c8ce0e6141c692df6755f337f9e0a13f132
''' Test_RSS_Policy_JobRunningMatchedRatioPolicy ''' import unittest import DIRAC.ResourceStatusSystem.Policy.JobRunningMatchedRatioPolicy as moduleTested ################################################################################ class JobRunningMatchedRatioPolicy_TestCase( unittest.TestCase ): def setUp( ...
Andrew-McNab-UK/DIRAC
ResourceStatusSystem/Policy/test/Test_RSS_Policy_JobRunningMatchedRatioPolicy.py
Python
gpl-3.0
4,283
[ "DIRAC" ]
f4c21000ca49684c76fde1b0aacc70e062d6c9a7da3bd9d1404ecdf6775adb05
# -*- coding: utf-8 -*- # HORTON: Helpful Open-source Research TOol for N-fermion systems. # Copyright (C) 2011-2017 The HORTON Development Team # # This file is part of HORTON. # # HORTON is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License # as published by th...
QuantumElephant/horton
horton/constants.py
Python
gpl-3.0
1,499
[ "Avogadro" ]
70f086f8f1643bee145f8ad88bb70d4d07c7084ee555aa8b5570d6ad15fad31c
# File: subst.py # Author: Brian A. Vanderburg II # Purpose: A generic SCons file substitution mechanism # Copyright: This file is placed in the public domain. ############################################################################## # Requirements ##########################################...
salilab/mdt
tools/subst.py
Python
gpl-2.0
5,887
[ "Brian" ]
80ee8e2a82d64704fd80050c6802603d0bc9fb625ddbed2fadb7434fe51627da
# global imports import cython import logging import itertools import sys # local imports try: import openbabel except: pass from rdkit import Chem from .molecule import Atom, Bond, Molecule from .pathfinder import compute_atom_distance from .util import partition, agglomerate, generate_combo import rmgpy.m...
chatelak/RMG-Py
rmgpy/molecule/generator.py
Python
mit
21,132
[ "RDKit" ]
f7a9dd043a7e4214bf1c07384e85e40770d59afba3fe54c747bb5b7ae40fee73
""" Defines the plugin to take storage space information given by WLCG Accounting Json https://twiki.cern.ch/twiki/bin/view/LCG/AccountingTaskForce#Storage_Space_Accounting https://twiki.cern.ch/twiki/pub/LCG/AccountingTaskForce/storage_service_v4.txt https://docs.google.com/document/d/1yzCvKpxsbcQC5K9MyvXc-vBF...
DIRACGrid/DIRAC
src/DIRAC/Resources/Storage/OccupancyPlugins/WLCGAccountingJson.py
Python
gpl-3.0
4,466
[ "DIRAC" ]
c3db8d71eefba20e8da0feacef044190224e169d8fa5c49b1aaceb1b5ac0c61e
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2013 Stanford University and the Authors # # Authors: Kyle A. Beauchamp # Contributors: Robert McGibbon, John D. Cho...
daviddesancho/mdtraj
mdtraj/formats/mol2.py
Python
lgpl-2.1
7,865
[ "MDTraj", "OpenMM" ]
be67b84cdb3386ff4242a90072c388b8279d073369798d72033050bd6c94ab0d
# Copyright 2014 PerfKitBenchmarker 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 appli...
syed/PerfKitBenchmarker
perfkitbenchmarker/benchmarks/speccpu2006_benchmark.py
Python
apache-2.0
10,962
[ "GAMESS", "Gromacs", "NAMD" ]
43ef63c6f1f7fce6f8b0251566421cf90a11f260df345d446a3a3f51db4208e1
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2012 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program is free software; you can redistribute it and/or modify ## it under the terms of the GNU Lesser General Public License as published by ## the Free Software F...
andrebellafronte/stoq
stoqlib/gui/search/salespersonsearch.py
Python
gpl-2.0
3,025
[ "VisIt" ]
fb9010329b369c15d127ccfc0007475c04765cb81026a0c7513f269de1016077