text
stringlengths
12
1.05M
repo_name
stringlengths
5
86
path
stringlengths
4
191
language
stringclasses
1 value
license
stringclasses
15 values
size
int32
12
1.05M
keyword
listlengths
1
23
text_hash
stringlengths
64
64
""" Collection of data and unit converters Input ===== - 'M' refers to a matrix/array. - 'S' refers to a scalar. @author: kmu @since: 17. aug. 2010 """ # Built-in import os # Additional from numpy import uint16, int8, int16, float32, float64, isnan, load #Own from pysenorge.set_environment imp...
kmunve/pysenorge
pysenorge/converters.py
Python
gpl-3.0
3,374
[ "NetCDF" ]
4c2b11c35116dabe029d13dff322a45c152fe8712a2470a17916c53e1cfad133
import concurrent.futures import datetime import fractions import json import logging import math import os from pkg_resources import DistributionNotFound, get_distribution import psutil import struct from tempfile import TemporaryDirectory import threading import time import numpy import tifftools try: __version...
DigitalSlideArchive/large_image
utilities/converter/large_image_converter/__init__.py
Python
apache-2.0
34,861
[ "NetCDF" ]
bbf163bb934aec5130bd6741b8f7d0b1fbc88df1aa6f3ee0e6293f49fb118e70
## # Copyright 2009-2016 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...
ocaisa/easybuild-easyblocks
easybuild/easyblocks/w/wrf.py
Python
gpl-2.0
16,882
[ "NetCDF" ]
e35efc731dcd288c3bb91efc439dd5cc1f4f023df686af4ab7672a0adc15203b
# ========================================================================= # # Imports # # ========================================================================= import unittest from .context import basis import numpy as np import numpy.testing as npt from numpy.polynomial import Polynomial as P # import the Leg...
marchdf/dg1d
tests/test_basis.py
Python
apache-2.0
5,033
[ "Gaussian" ]
68af1731d64aa68fca08baf552993e46c9845c64f200ff4442cadce684122546
############################################################################## # Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
krafczyk/spack
var/spack/repos/builtin/packages/r-bsgenome/package.py
Python
lgpl-2.1
2,532
[ "Bioconductor" ]
f29b8ce9677aea7c62424e22a25b7a00f31b1a679636a377c8aba2a71650f85a
""" Numba-specific errors and warnings. """ import abc import contextlib import os import sys import warnings import numba.core.config import numpy as np from collections import defaultdict from numba.core.utils import chain_exception from functools import wraps from abc import abstractmethod # Filled at the end __a...
stonebig/numba
numba/core/errors.py
Python
bsd-2-clause
22,392
[ "VisIt" ]
70663d24ec1d31bbfe22eb08a3719333471820d79599dee491dfb796f18c2ba8
from __future__ import print_function from __future__ import division from __future__ import absolute_import import sys import os import numpy as np import numpy.testing as npt import scipy.sparse import scipy.io from mdtraj import io from msmbuilder import tpt from msmbuilder.scripts import FindPaths from msmbuilder...
mpharrigan/msmbuilder
tests/test_tpt.py
Python
gpl-2.0
5,760
[ "MDTraj" ]
4bfc3532c8039123b98a06c356e447d2391fc6f5e9c991a289200773f9c9fb2b
# Copyright 2007-2020 The HyperSpy developers # # This file is part of HyperSpy. # # HyperSpy is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later ve...
dnjohnstone/hyperspy
hyperspy/tests/component/test_component_active_array.py
Python
gpl-3.0
2,393
[ "Gaussian" ]
ac0b1a2f6e9d99b9c9f3f30d86db5c7d588cdc5a303a5ad7d84a8987133bebf8
""" Copyright (c) 2015 Andreea Georgescu Created on Thu Nov 20 22:52:11 2014 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. ...
Andreea-G/Codds_DarkMatter
src/experiment.py
Python
gpl-2.0
39,592
[ "DIRAC", "Gaussian" ]
875abd001e51ec8bf5fa32a9bb485a8c0998e68d04103c724bc7a49bf74d5a0a
# -*- coding: utf-8 -*- """ Created on Wed Oct 4 17:04:20 2017 A setup script that creates an .exe file of the project inside the "build" folder USAGE: From terminal or cmd, write: python setup.py bdist_msi <- for windows installer python setup.py bdist_mac <- for mac installer (only works if run...
danmark2312/Project-Electricity
setup.py
Python
gpl-3.0
1,171
[ "MOE" ]
dc5c421d39a98bde66b97685347830f3507d998fab87338fd556f8ee54809743
#!/usr/bin/env python # -*- encoding: utf-8 -*- from __future__ import unicode_literals import bindings as bi import sys PY3 = sys.version_info[0] == 3 str_type = str if PY3 else (str, unicode) # We specify these not as real types, but as parameter annotations in the docstrings class PythonTypeTranslatorForCheck(bi.T...
mathemage/h2o-3
h2o-bindings/bin/gen_python.py
Python
apache-2.0
24,995
[ "Gaussian" ]
e04ef9c83942e77b85102276fb53cb582fe57bd52885ace0de591ed4f10a9a54
import numpy as np #formate the xyz file to vtk file format, which could be imported by paraview #global variables cal_dist=lambda p1,p2:np.sqrt(np.sum((p1-p2)**2)) POLY_LIB={'tectrahedra':['As','P','Cr'],'pyramid':['Pb'],'octahedron':['Sb','Fe','Cd','Cu','Zn']} HT_CUTOFF={'As':6.0,'Pb':6.0,'Fe':0.0,'Sb':0.0,'P':0.,'...
jackey-qiu/genx_pc_qiu
supportive_functions/formate_xyz_to_vtk.py
Python
gpl-3.0
12,449
[ "ParaView", "VTK" ]
0b61f3751b06090cd4690da889fcfb6cb8818a24d59809eb59a01adb515099ef
# -*- coding: utf-8 -*- """ Created on Wed Mar 25 10:46:06 2015 @author: Paco """ """Copyleft 2010 Forrest Sheng Bao http://fsbao.net PyEEG, a Python module to extract EEG features, v 0.02_r2 Project homepage: http://pyeeg.org **Data structure** PyEEG only uses standard Python and numpy data structures, so you need t...
franblas/eegChallenge
src/pyeeg.py
Python
mit
22,783
[ "VisIt" ]
ed66fc528f743d04a9371b4a068c405e510b6c8dfa31d51818813097541acbef
""" Student Views """ import datetime import logging import uuid import json import warnings from collections import defaultdict from urlparse import urljoin, urlsplit, parse_qs, urlunsplit from django.views.generic import TemplateView from pytz import UTC from requests import HTTPError from ipware.ip import get_ip i...
synergeticsedx/deployment-wipro
common/djangoapps/student/views.py
Python
agpl-3.0
116,468
[ "VisIt" ]
5ef958e151f66fdeeea8348d95e56d51c933bb006a0924d4040f633fc07fb586
import sys import math from openfermion.chem import MolecularData from openfermionpsi4 import run_psi4 # Set molecule parameters. basis = 'sto-3g' multiplicity = 1 bond_length_interval = 0.2 n_points = 10 # Set calculation parameters. run_scf = 1 run_mp2 = 1 run_cisd = 0 run_ccsd = 0 run_fci = 1 delete_input = True d...
psi4/psi4meta
conda-recipes/openfermionpsi4/tests/demo.py
Python
gpl-2.0
2,293
[ "Psi4" ]
1410df5289b873735edb970806d29f713d3f305b0c7de3d09428c1a879c7abf9
# MIT License # # Copyright (c) 2016 Daily Actie # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the rights # to use, copy, modify, merge, ...
DailyActie/Surrogate-Model
surrogate/mutation/mutGaussian.py
Python
mit
2,777
[ "Gaussian" ]
d8e86da4e903495a2bac42172561fb3b8595fde4856aa43b9ea7bfa8d4a0e080
""" This file is part of Giswater 3 The 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. """ # -*- coding: utf-8 -*- from ..dialog imp...
Giswater/giswater_qgis_plugin
core/toolbars/om/visit_button.py
Python
gpl-3.0
706
[ "VisIt" ]
51ffc36bc76f89d726ecaca4e03ca015954ff1fcbd1a109cfb551f6204f1993f
# -*- coding: utf-8 -*- def VtkCargaIdsKPts(recordGrid): etiqKPt= VtkCreaStrArraySetData(recordGrid.setName,"pnts","codigo") recordGrid.uGrid.PointData.SetStrings(etiqKPt) def VtkDibujaIdsKPts(nmbUGrid,setName,renderer): '''Draw the points labels.''' st= preprocessor.getSets.getSet(setName) numKPtsDI= st.si...
lcpt/xc
python_modules/postprocess/xcVtk/CAD_model/vtk_define_kpoints_cad.py
Python
gpl-3.0
1,589
[ "VTK" ]
86ce33f697986a2116f116560fab5cbecae02cafc0a6f78e499031d3540c7e51
import copy import json from collections.abc import Mapping from inspect import isclass from .base import Environment, Object from .naming import Namable, frozendict from .typing import Type, TypeCheck, TypeFactory, TypeMetaclass class Empty(object): """The Empty sentinel representing an unspecified field.""" pa...
wickman/pystachio
pystachio/composite.py
Python
mit
11,350
[ "Brian" ]
bf6562e59746a4a79f5101bd04b02a30ed393a6eabc03d943a50524acb6c8a70
#!/usr/bin/env python # -*- coding: utf8 -*- # ***************************************************************** # ** PTS -- Python Toolkit for working with SKIRT ** # ** © Astronomical Observatory, Ghent University ** # ***************************************************************** ##...
SKIRT/PTS
modeling/modeling/galaxy.py
Python
agpl-3.0
46,759
[ "Galaxy", "Gaussian" ]
6a9c0df59fc28546ed443922c1928ca52677dd0cf1308a3b990673e21581f690
#!/bin/env python3 import re from VASP import readGjf, writeXYZ import sys space = re.compile(r'\s+') if len(sys.argv) == 1: print("") print("Usage: %s line1,line2,.... T/F vaspfile" % sys.argv[0].split('/')[-1]) print("the format of line1,line2,... can be either x or x-x") print("try again") pri...
Mabinogiysk/VASP-script
gjf2xyz.py
Python
gpl-2.0
876
[ "VASP" ]
e952e1c9413f8381ed62473a944ad94f90dedff835135969f97bc251e4bd3169
# -*- coding: utf-8 -*- """ A real simple app for using webapp2 with auth and session. It just covers the basics. Creating a user, login, logout and a decorator for protecting certain handlers. Routes are setup in routes.py and added in main.py """ # standard library imports import logging import jso...
wilsoncampusano/gae-boilerplate
bp_includes/handlers.py
Python
lgpl-3.0
64,076
[ "VisIt" ]
e45e08136cef7ec377843e6ad94d40d7b85ee0b7ebc64b57fe8a9847711ce6c9
# -*- coding: utf-8 -*- """Algorithms for spectral clustering""" # Author: Gael Varoquaux <gael.varoquaux@normalesup.org> # Brian Cheung # Wei LI <kuantkid@gmail.com> # Andrew Knyazev <Andrew.Knyazev@ucdenver.edu> # License: BSD 3 clause import warnings import numpy as np from scipy.linalg im...
sergeyf/scikit-learn
sklearn/cluster/_spectral.py
Python
bsd-3-clause
28,258
[ "Brian", "Gaussian" ]
cb5ce3b6dc965d720909dbc4ebff7c251fbbdd5f2b85b5d4836b3dd83939445c
"""Script for running a tsunami inundation scenario for Busselton, WA Australia. Source data such as elevation and boundary data is assumed to be available in directories specified by project.py The output sww file is stored in directory named after the scenario, i.e slide or fixed_wave. The scenario is define...
AuScope/VHIRL-Portal
src/main/resources/org/auscope/portal/server/scriptbuilder/templates/run_busselton.py
Python
gpl-3.0
10,162
[ "NetCDF" ]
952842a4e7c81228537836ee6599e8f061fb801fda6e81d6811be93c2cf5c2d6
""" Some extras on test_xray. Split up so Travis can parallelize them. """ import os import sys import warnings import tables import numpy as np from scipy import stats from thor import utils from thor import math2 from thor import utils from thor import xray from thor import parse from thor import structure from t...
tjlane/thor
test/xray/test_xray2.py
Python
gpl-2.0
4,945
[ "MDTraj" ]
94a606326c9f488709106fa35a44fab02bf4aac0f42bc1b5166e2a275636864e
from flask import Flask, render_template, request, redirect, url_for, Response, send_from_directory, jsonify, flash from flask_login import LoginManager, current_user, login_user, logout_user, login_required from werkzeug.utils import secure_filename from werkzeug.urls import url_quote_plus from urllib.parse import url...
Rosuav/appension
glitch/server.py
Python
artistic-2.0
14,892
[ "VisIt" ]
11f2b389f75d9be192a2e09c040cb99463cb1b0a0cc7bc29b8f3785a10e4565a
""" Chooses a set of components to make a running program. """ # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. from zeroinstall import _, logger import locale import collections from zeroinstall.injector.reader import MissingLocalFeed from zeroinstall.injector im...
dabrahams/0install
zeroinstall/injector/solver.py
Python
lgpl-2.1
34,098
[ "VisIt" ]
4c32673ec2a80025475507d6da30e458d48e0dd45171032aba71457f5ae0e4a3
######################################################################## # $HeadURL $ # File: FTSAgent.py # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2013/05/31 10:00:13 ######################################################################## """ :mod: FTSAgent ============== .. module: FTSAgent :syno...
avedaee/DIRAC
DataManagementSystem/Agent/FTSAgent.py
Python
gpl-3.0
39,540
[ "DIRAC" ]
b95f4775a605332be0f3d7ad13036cc66a9e90392121f4429977e33c5f6fdd89
""" Functions to operate on polynomials. """ from __future__ import division, absolute_import, print_function __all__ = ['poly', 'roots', 'polyint', 'polyder', 'polyadd', 'polysub', 'polymul', 'polydiv', 'polyval', 'poly1d', 'polyfit', 'RankWarning'] import re import warnings import numpy.core....
jjas0nn/solvem
tensorflow/lib/python2.7/site-packages/numpy/lib/polynomial.py
Python
mit
37,972
[ "Gaussian" ]
58e47b492a2a15b5b8da8fa0aff31eb00ca600f99e263fdd00b11cb0eb91a770
############################################################################## # Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
EmreAtes/spack
var/spack/repos/builtin/packages/r-affycomp/package.py
Python
lgpl-2.1
1,774
[ "Bioconductor" ]
d48e40a7f98a0c7bd154bcd17888eb1ad50b99765ffd766af052a9c7dc795bac
""" Potential function derivative definitions. In this code potentials are defined as closures. This allows one to instantate a parameterized potential once and pass around the resulting function as a closure without needing to thread the potential parameters through the code. """ from math import exp, pi # # equatio...
HNoorazar/PyOpinionGame
opiniongame/potentials.py
Python
gpl-3.0
1,936
[ "Gaussian" ]
30e78e2689c28e8ed31fa05335a9403dc531f5b0b374e4a77f3f2e8ef0539876
# Copyright 2008-2013 Nokia Siemens Networks Oyj # # 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...
ktan2020/legacy-automation
win/Lib/site-packages/robot/model/statistics.py
Python
mit
2,603
[ "VisIt" ]
8371a38985631b784723d3e5fffe4caa43dd89fa1641dcaadf45e691d1201406
""" Authors: Tim Bedin (Tim.Bedin@csiro.au) Tim Erwin (Tim.Erwin@csiro.au) Damien Irving (irving.damien@gmail.com) Copyright 2014 CSIRO 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 Li...
paolap/cwsl-mas
cwsl/vt_modules/vt_xmltonc.py
Python
apache-2.0
7,814
[ "NetCDF" ]
c12c1af1381746d2ee4c7ae35b34df2b6461e4503fec332c390a8e8e2d8508ae
# -*- coding: utf-8 -*- """ GUI for CogStat. """ # Splash screen import os import sys import importlib from PyQt5 import QtGui, QtWidgets from PyQt5.QtCore import Qt app = QtWidgets.QApplication(sys.argv) pixmap = QtGui.QPixmap(os.path.join(os.path.dirname(os.path.abspath(__file__)), 'resources', ...
cogstat/cogstat
cogstat/cogstat_gui.py
Python
gpl-3.0
47,231
[ "VisIt" ]
d87f0459aa652ac2fba15720ccecf441d13a5a16a779e224fddde14288037d19
############################################################################### # ilastik: interactive learning and segmentation toolkit # # Copyright (C) 2011-2014, the ilastik developers # <team@ilastik.org> # # This program is free software; you can redistribute it and/or # mod...
ilastikdev/ilastik
setup_mac.py
Python
gpl-3.0
10,462
[ "VTK" ]
328bddc49e1168da47219a9fcc2141df89197cbce44e1598ba18db0ec8a9fa00
import numpy as np from astropy.table import Table from astropy.io import fits import matplotlib.pyplot as plt import matplotlib import pickle from os.path import isfile, join from os import listdir from astropy.time import Time pkl_file = open('wl.pkl', 'rb') wl = pickle.load(pkl_file) pkl_file.close() #Now ...
peraktong/Cannon-Experiment
Diagnostic/0321_diagnostic_plot.py
Python
mit
13,264
[ "VisIt" ]
f8cf143613723cee3d5f36d68528bc2f48393c6e91c5d5390144b6f6b57f1024
# -*- coding: utf-8 -*- """ [Python 2.7 (Mayavi is not yet compatible with Python 3+)] Created on Mon Feb 09 18:11:08 2015 @author: Ryan Stauffer https://github.com/ryanpstauffer/market-vis market-vis v0.01 Market Visualization Prototype Main script """ from datetime import datetime from timeit import de...
ryanpstauffer/market-vis
marketvis/marketvis.py
Python
mit
2,766
[ "Mayavi" ]
695c81ecd017c73b1a18cad8f77bbb2cdddbabc619b59c2a0fb26f3ef7b77231
#!/usr/bin/env python3 # -*- coding: utf-8 -*- from parsimonious.grammar import Grammar from parsimonious.nodes import NodeVisitor class EntryParser(NodeVisitor): def __init__(self, grammar, text): self.entry = {} ast = Grammar(grammar).parse(text) self.visit(ast) def visit...
codeyash/plugins
PyPlugins/PhpParser/py/p1.py
Python
apache-2.0
1,684
[ "VisIt" ]
c2d5f4d8ecf8582360577cac69e7535e73f862b27677f073dfd81e7e12e115a4
# # Copyright (C) 2013,2014 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 l...
mgusenbauer/espresso
samples/python/debye_hueckel.py
Python
gpl-3.0
7,721
[ "ESPResSo" ]
d76f0eda3929c2a6ff0d7bb24d65960d9ff732cbdbc060b07dad3f8d30d0cb7e
""" netcdftrajectory - I/O trajectory files in the AMBER NetCDF convention More information on the AMBER NetCDF conventions can be found at http://ambermd.org/netcdf/. This module supports extensions to these conventions, such as writing of additional fields and writing to HDF5 (NetCDF-4) files. A Python NetCDF modul...
suttond/MODOI
ase/io/netcdftrajectory.py
Python
lgpl-3.0
24,293
[ "ASE", "Amber", "LAMMPS", "NetCDF", "OVITO", "VMD" ]
dc718955c88ca82c1e425f5e89602f718dad62839a4a8edbf02879460695ef93
# $HeadURL: $ """ Statistics Module containing little helpers that extract information from the RSS databases providing information for comparisons and plots. """ import datetime # DIRAC from DIRAC import S_ERROR, S_OK from DIRAC.ResourceStatusSystem.Client....
avedaee/DIRAC
ResourceStatusSystem/Utilities/Statistics.py
Python
gpl-3.0
8,907
[ "DIRAC" ]
2cf75ea733f7e400c3a71639e5a58ee5ac04cbdc511256fd07d88636c184a1a9
# -*- coding: utf-8 -*- from __future__ import unicode_literals import os from datetime import datetime from django.test import SimpleTestCase, ignore_warnings from django.utils import html, safestring, six from django.utils._os import upath from django.utils.deprecation import RemovedInDjango20Warning from django.ut...
hackerbot/DjangoDev
tests/utils_tests/test_html.py
Python
bsd-3-clause
10,708
[ "ADF" ]
a566040ed5350e66e0d1a5749f68091b9c5666e356f9c48ba0be95d7f5abdec5
import os import tempfile import sys import pymbar import numpy as np import pandas as pd import simtk.openmm.app as app import simtk.openmm as mm import simtk.unit as u import mdtraj as md # 0.2 * 1000 / 18.015 temperature = 300.0 * u.kelvin pressure = 1.0 * u.atmospheres stderr_tolerance = 0.0001 ionicStrength = 2....
kyleabeauchamp/DBayes
dbayes/test_ion.py
Python
gpl-2.0
2,206
[ "MDTraj", "OpenMM" ]
a5ed5b209efda615c912f8d8fdc202258f709d8025588cc80af695475258e568
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2019 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
CDSherrill/psi4
psi4/driver/qcdb/vib.py
Python
lgpl-3.0
50,016
[ "Avogadro", "Psi4" ]
69125035ddbcc921cc3fe50d08dde7ac2ed0b16b420ead3bde8409e23943d019
''' Created on Feb 2, 2010 @author: Brian Thorne ''' from scipysim.actors.logic import Compare class LessThan(Compare): def compare(self, event): return event.value < self.threshold
mm318/scipysim-nogui
scipysim/actors/logic/lessthan.py
Python
gpl-3.0
196
[ "Brian" ]
111e1b8b96e3fe7a637217dc4dbd33cbda4b06f3c2b7b020d9bd400f9b01e45f
""" pymel ipython configuration Current Features ---------------- tab completion of depend nodes, dag nodes, and attributes automatic import of pymel Future Features --------------- - tab completion of PyNode attributes - color coding of tab complete options - to differentiate between methods and attributes ...
david-lassonde-adsk/pymel
pymel/tools/ipymel.py
Python
bsd-3-clause
29,006
[ "VisIt" ]
b6fede273784967bad81d7a6c1541837dd41ce70aefba7532e991f3132025d01
import re from PyQt5 import QtWidgets, QtCore import peacock import mooseutils from plugins.ExodusPlugin import ExodusPlugin class ExodusPluginManager(QtWidgets.QWidget, peacock.base.PluginManager): def __init__(self, plugins=[]): super(ExodusPluginManager, self).__init__(plugins=plugins, plugin_base=Exod...
liuwenf/moose
python/peacock/ExodusViewer/ExodusPluginManager.py
Python
lgpl-2.1
4,887
[ "VTK" ]
e9e3849fb40a54b01632537f52a0914b59b49298c99ed8c3d92453da0403948e
# -*- coding: utf-8 -*- # # Copyright (c) 2016, the cclib development team # # This file is part of cclib (http://cclib.github.io) and is distributed under # the terms of the BSD 3-Clause License. """Test coupled cluster logfiles""" import os import unittest import numpy __filedir__ = os.path.realpath(os.path.dirn...
Schamnad/cclib
test/data/testCC.py
Python
bsd-3-clause
815
[ "cclib" ]
384d07072ede49b8d23c2dea34227680afdd877a6fea70014588499c7e9565bb
__author__ = 'nikita_kartashov' # -*- coding: utf-8 -*- import re from pattern.web import plaintext from pattern.web import Crawler, BREADTH, FILO import inspect class CustomCrawler(Crawler): def __init__(self, url, depth, index): Crawler.__init__(self, links=[url]) re_text = u"""[абвгдеёжзийклмн...
nkartashov/NKrawler
crawler.py
Python
gpl-2.0
1,992
[ "VisIt" ]
7a949e80dbe11f3ee61022788613a05fe5906a3eb6d60db9ebe7e6e4d3225ee9
import openvoronoi as ovd import ovdvtk import time import vtk import truetypetracer as ttt import math def drawLine(myscreen, pt1, pt2, lineColor): myscreen.addActor(ovdvtk.Line(p1=(pt1.x, pt1.y, 0), p2=(pt2.x, pt2.y, 0), color=lineColor)) def drawArc(myscreen, pt1, pt2, r, cen, cw, arcColor): # draw arc a...
aewallin/openvoronoi
python_examples/faceoffset_1.py
Python
lgpl-2.1
6,980
[ "VTK" ]
5e63b580189b1f1821ddec7be44edbed20f8f234477ab30f87af9eca89126b36
from __future__ import print_function import sys, os from ShapeAnalysisModule import ShapeAnalysisModuleWrapper try: from configparser import SafeConfigParser except ImportError: from ConfigParser import SafeConfigParser # python 2.x if len(sys.argv) != 2: print("\n\nUsage: ./SlicerSALT --no-main-window --pyth...
NIRALUser/SPHARM-PDM
CommandLineTool/SPHARM-PDM.py
Python
apache-2.0
8,056
[ "VTK" ]
4eb816c7eb8ec4aee011c882feebfee602b143ef06dbbc61fba91748cb33e64a
# Copyright 2017,2018,2019,2020,2021 Sony Corporation. # Copyright 2021 Sony Group Corporation. # # 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-...
sony/nnabla
python/test/test_variable.py
Python
apache-2.0
11,689
[ "VisIt" ]
ee62034dd951da016333d8586df5883ccb079ec34609bcef280a50f4550da0a8
#------------------------------------------------------------------------------- # . File : CHELPGCharges.py # . Program : MolarisTools # . Copyright : USC, Mikolaj Feliks (2015-2018) # . License : GNU GPL v3.0 (http://www.gnu.org/licenses/gpl-3.0.en.html) #-----------------------------------------------...
mfx9/molaris-tools
MolarisTools/Other/CHELPGCharges.py
Python
gpl-3.0
9,388
[ "Gaussian", "ORCA" ]
893596837e3f94a70b14ae22791ccb8248ab66e77e64e50e1cc7ae9f64977cd0
import logging, threading, sys, os, time, subprocess, string, tempfile, re, traceback, shutil from galaxy import util, model from galaxy.model import mapping from galaxy.model.orm import lazyload from galaxy.datatypes.tabular import * from galaxy.datatypes.interval import * from galaxy.datatypes import metadata impor...
dbcls/dbcls-galaxy
lib/galaxy/jobs/__init__.py
Python
mit
34,209
[ "Galaxy" ]
c11cad6d0752ba93b5dd97b90ed7910aed75593c214e9968d33dfdd73e8c05ac
#!/usr/bin/env python3 # vim: set encoding=utf-8 tabstop=4 softtabstop=4 shiftwidth=4 expandtab ######################################################################### # Copyright 2012-2013 Marcus Popp marcus@popp.mx # Copyright 2016- Martin Sinn m.sinn@gmx.de ##...
smaiLee/smarthome
plugins/visu_websocket/__init__.py
Python
gpl-3.0
21,998
[ "VisIt" ]
8df296db22af09092d420fcd0c708ee03491cc4432674b4d7a3e56b60f4d9983
#!/usr/bin/env python ## category General ## desc Calculate the inner mate-pair distance from two BAM files ''' Calculate the inner mate-pair distance from two BAM files With paired-end reads, knowing the inner mate-pair distance is key for some downstream analyses or mapping. This value can be estimated using wet-lab...
ngsutils/ngsutils
ngsutils/bam/innerdist.py
Python
bsd-3-clause
4,800
[ "pysam" ]
bd246170cab7ee2a02b8aeb2dccc9f9fd6a10eb44042769114e7a94201c9abdd
#!/usr/bin/env python """ Easy Install ------------ A tool for doing automatic download/extract/build of distutils-based Python packages. For detailed documentation, see the accompanying EasyInstall.txt file, or visit the `EasyInstall home page`__. __ https://setuptools.readthedocs.io/en/latest/easy_install.html ""...
astaninger/speakout
venv/lib/python3.6/site-packages/setuptools/command/easy_install.py
Python
mit
87,050
[ "VisIt" ]
80a7446a6bd82e59f80601ee9128f3684a026dd120e865ce9a5b4f7ad7a24a62
# Copyright 2002 by Katharine Lindner. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """handles true random numbers supplied from the the web server of fourmilab. Based on atm...
bryback/quickseq
genescript/Bio/HotRand.py
Python
mit
2,065
[ "Biopython" ]
51b04cd47d90620150557ba4f24c81d7c2e865acf6fd82900c36f098eca16c0b
#!/usr/bin/env python """ Connects to the URL specified and outputs builds available at that DSN in tabular format. USCS Test gateway is used as default. build description """ import sys import urllib if sys.version_info[:2] >= ( 2, 5 ): import xml.etree.ElementTree as ElementTree else: from galaxy import ...
volpino/Yeps-EURAC
cron/parse_builds.py
Python
mit
1,621
[ "Galaxy" ]
19146f8e7588ed2f1386c9c3f67770b7b8107dec3655a4025f87edab58a37540
#!/usr/bin/env python # -*- coding: utf-8 -*- def test_sparse_ci2(): import math import psi4 import forte import itertools import numpy as np import pytest from forte import forte_options ref_fci = -5.623851783330647 psi4.core.clean() # need to clean the options otherwise thi...
evangelistalab/forte
tests/pytest/sparse_ci/test_sparse_ci2.py
Python
lgpl-3.0
3,031
[ "Psi4" ]
518706648ecdfa78f37996cd55250e2967b8e2addc01c34fce67c169fb7077ed
#!/usr/bin/python3 # -*- coding: utf-8 -*- # vim:ai:sw=4:ts=8:et:fileencoding=utf-8 # # Based on RPi Wobbulator v2.7.1 # # Copyright (C) 2013-2014 Tom Herbison MI0IOU # Email tom@asliceofraspberrypi.co.uk # Web <http://www.asliceofraspberrypi.co.uk> # Special thanks to Tony Abbey for his efforts developing v2 of the s...
mi0iou/RPi_Wobbulator
rpi_wobbulator.py
Python
gpl-3.0
87,332
[ "CRYSTAL", "VisIt" ]
deb02cd92eb0ec102e049007bead0453a1bf189f43ce6373e8d32639649f612d
import numpy as np from scipy.signal import gaussian from traits.api import Callable, Enum, Instance, on_trait_change from .base_color_function_component import BaseColorComponent, ColorNode from .function_component import register_function_component_class from .function_node import register_function_node_class from ...
dmsurti/ensemble
ensemble/ctf/gaussian_function_component.py
Python
bsd-3-clause
8,378
[ "Gaussian" ]
c094ca7512b0107b23ea958e072b129ec59f425a8c0009cb75f1374a326ef4e3
# ============================================================================ # # Copyright (C) 2007-2012 Conceptive Engineering bvba. All rights reserved. # www.conceptive.be / project-camelot@conceptive.be # # This file is part of the Camelot Library. # # This file may be used under the terms of the GNU General...
jeroendierckx/Camelot
camelot/view/controls/decorated_line_edit.py
Python
gpl-2.0
5,915
[ "VisIt" ]
2f77e8c1b85f5aaf68930edbb2fddca05842253f25dd9de66e0574255160a999
# -*- coding: utf-8 -*- ############################################################################### # # PyLint tests that will never be applied for this file. # # Unused variables, these functions are organized so that they can be called # from a string at runtime, from it's name being stor...
Asiant/trump
trump/extensions/symbol_aggs.py
Python
bsd-3-clause
8,205
[ "ADF" ]
57633532427f846d74b061cdb15fb149fda8d17b5cf8da8544fe1a9bbb066d71
#/* # * # * OpenStreetMap for Kodi # * # * Copyright (C) 2015 Brian Hornsby # * # * 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...
brianhornsby/script.openstreetmap
resources/lib/openstreetmap.py
Python
gpl-3.0
10,808
[ "Brian" ]
a4299d1119ced367b21c47b9ca2d9c40db77e2c2ad6d80421d66bc96279fc2de
#!/usr/bin/env python """ -------------------------------------------------------------------------------- Created: Jackson Lee 9/29/14 This script reads in a tab delimited combined coverage file from consolidate_coverage.py of phylogeny, protein classifications, and annotations uses the biopython KGML libraries to ...
leejz/meta-omics-scripts
generate_kgml_graphics.py
Python
mit
13,581
[ "Biopython" ]
eb02dcc9bf83023755ff09184e46a2350f2536a1e924f4c8226987fd6b2182e7
# Adapted from Bio.AlignIO.FastaIO copyright 2008-2011 by Peter Cock. # Copyright 2012 by Wibowo Arindrarto. # All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Bio.SearchIO sup...
updownlife/multipleK
dependencies/biopython-1.65/build/lib.linux-x86_64-2.7/Bio/SearchIO/FastaIO.py
Python
gpl-2.0
25,543
[ "BLAST", "Biopython" ]
d39a0e99bfde8d6174758eb3c01d6f9ee94aa67fc1442214868882801acbad40
#!/usr/bin/env python # category General # desc Removes reads from a BAM file based on criteria """ Removes reads from a BAM file based on criteria Given a BAM file, this script will only allow reads that meet filtering criteria to be written to output. The output is another BAM file with the reads not matching the cr...
blankclemens/tools-iuc
tools/ngsutils/filter.py
Python
mit
28,210
[ "pysam" ]
dc38094843119739c29b33f8bd81ac346797cbd3142773cd8f759e4e6f33ba55
"""Framework for getting filetype-specific metadata. This is the same as fileinfo.py with one difference: instead of inheriting from UserDict, we inherit directly from dict. This capability was introduced in Python 2.2, and makes UserDict unnecessary (along with its cousins, UserList and UserString). This program is ...
tapomayukh/projects_in_python
sandbox_tapo/src/refs/diveintopython-pdf-5.4/diveintopython-5.4/py/fileinfo_fromdict.py
Python
mit
2,776
[ "VisIt" ]
dfb335ae34126db1ad299010573a4603a262e0e0ebfa66239af0448c7f9173c4
# coding: utf-8 from __future__ import unicode_literals import binascii import collections import email import getpass import io import optparse import os import re import shlex import shutil import socket import struct import subprocess import sys import itertools import xml.etree.ElementTree try: import urllib...
bosstb/HaberPush
youtube_dl/compat.py
Python
mit
89,648
[ "Bowtie" ]
5af0d452eb53189193e1482741bdfcb93fe419be6b9def4bf6f6bdc494f7144e
# Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of t...
BackupTheBerlios/espressopp
src/tools/analyse.py
Python
gpl-3.0
2,798
[ "ESPResSo" ]
e65d111a5ac50c662d6c8a0bb60ad3c163e91cc522a7d4c5f8c2ac71a0bbb6de
# ============================================================================ # # Copyright (C) 2007-2012 Conceptive Engineering bvba. All rights reserved. # www.conceptive.be / project-camelot@conceptive.be # # This file is part of the Camelot Library. # # This file may be used under the terms of the GNU General...
jeroendierckx/Camelot
camelot/view/register.py
Python
gpl-2.0
3,568
[ "VisIt" ]
461582458ebd987c5e04c73a34c76df467ed1def7b6df0aed53e6d1afc7c95c2
#!/usr/bin/env python3 """ This script downloads the latest KeyForge card data from keyforgegame.com and processes it to turn the highly-structured data there into a flat list of card names to descriptions formatted to send down the chat. """ import common common.FRAMEWORK_ONLY = True import sys import json import re ...
andreasots/lrrbot
build_carddb_keyforge.py
Python
apache-2.0
7,298
[ "Amber" ]
5dbd204d58a86be2c0934a54e34843cfc1be16fe0586ea7f0b7757a1d22aaf96
import logging import yaml import sys import os import socket def configure_logging(): logging.root.handlers = [] level = getattr(logging, os.environ.get('TROUGH_LOG_LEVEL', 'INFO')) logging.basicConfig(stream=sys.stdout, level=level, format=( '%(asctime)s %(levelname)s %(name)s.%(funcName)s' ...
jkafader/trough
trough/settings.py
Python
bsd-2-clause
4,142
[ "GULP" ]
5ea9af2cd6f295f16fe7c8c985b1b181273c1b0a30e751c96d6c42d6d79df9d5
"""Base class for mixture models.""" # Author: Wei Xue <xuewei4d@gmail.com> # Modified by Thierry Guillemot <thierry.guillemot.work@gmail.com> # License: BSD 3 clause from __future__ import print_function import warnings from abc import ABCMeta, abstractmethod from time import time import numpy as np from .. impor...
sonnyhu/scikit-learn
sklearn/mixture/base.py
Python
bsd-3-clause
14,481
[ "Gaussian" ]
344091cddfaf63e6abd9b6b4b026f9e9a105a52bebcc9bfb0a2c060d7bac5138
# ----------------------------------------------------------------------- # Copyright (c) 2009-2018 Jendrik Seipp # # RedNotebook 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 Licens...
jendrikseipp/rednotebook
rednotebook/help.py
Python
gpl-2.0
21,191
[ "VisIt" ]
17967f8f23118f79a8268042c96ea3b7630db2afbb5e4dceaca28e9772539b89
## # gPrime - A web-based genealogy program # # Copyright (C) 2007 Brian G. Matherly # Copyright (C) 2010 Peter Landgren # Copyright (C) 2010 Jakim Friant # Copyright (C) 2011 Adam Stein <adam@csh.rit.edu> # Copyright (C) 2011 Tim G L Lyons # Copyright (C) 2013,2015 Paul Franklin # # This...
sam-m888/gprime
gprime/plug/report/endnotes.py
Python
gpl-2.0
8,839
[ "Brian" ]
166a09e3f3458eaa477f65e2bd7f9be4b721b2558c7dfcc1276e272de5c60af9
#!/usr/bin/env python # Copyright (C) 2015 James Tatum # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU Affero General Public License as # published by the Free Software Foundation, either version 3 of the # License, or (at your option) any later version. # # Thi...
jtatum/convention-stuff
scrape_registration_db.py
Python
agpl-3.0
5,273
[ "ESPResSo" ]
3798de32cf7e447e64597b76fe64d0b9245385623944ed446cedb7e39aa709c8
from django.test import TestCase from openrosa.xform_reader import XFormReader # Tutorial xform with basic data/survey types XFORM_FILE = '../_data/test_docs/tutorial.xml' # Basic i18n xform with translated labels I18N_XFORM = '../_data/test_docs/zambia/Child Visit.xml' # Translated constrai...
DHLabs/keep
keep_backend/tests/test_openrosa/test_xform_reader.py
Python
mit
1,274
[ "VisIt" ]
796ce907dcc6ad94b01cde69e9001e7939b2eec37f4bafb12976b0465028a9c2
#Author:Chaitanya CH #FileName: updatepaintGL.py #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, or # (at your option) any later version. # # This program is distributed in th...
BhallaLab/moose-thalamocortical
gui/updatepaintGL.py
Python
lgpl-2.1
11,216
[ "MOOSE" ]
86ab8c8366be319b2a75edb171ff517949b7ff084995514455ef7849f70cbd43
from __future__ import division import numpy as np def monkhorst_pack(size): """Construct a uniform sampling of k-space of given size.""" if np.less_equal(size, 0).any(): raise ValueError('Illegal size: %s' % list(size)) kpts = np.indices(size).transpose((1, 2, 3, 0)).reshape((-1, 3)) return (...
slabanja/ase
ase/dft/kpoints.py
Python
gpl-2.0
10,573
[ "CRYSTAL" ]
628961ae76852471a9741bd45a314d56a21891565557edd245c2a63d0926464e
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
TheTimmy/spack
lib/spack/spack/spec.py
Python
lgpl-2.1
134,500
[ "VisIt" ]
5e64a26970e6471c9eaabd27a5ed62ee3810649a6e76a5a671397949912019a4
# -*- coding: utf-8 -*- # Form implementation generated from reading ui file 'ui/src/about.ui' # # Created: Wed Nov 17 12:05:52 2010 # by: PyQt4 UI code generator 4.7.3 # # WARNING! All changes made in this file will be lost! from PyQt4 import QtCore, QtGui class Ui_AboutDialog(object): def setupUi(self, Ab...
ypid/series60-remote
pc/ui/ui_about.py
Python
gpl-2.0
8,671
[ "VisIt" ]
c8f64ef1126b6fd254c3c16d9560c820bb314ec8187778c07b356fd4ce355912
#!/usr/bin/env python # Vertex-wise mediation with TFCE # Copyright (C) 2016 Tristram Lett # 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 #...
trislett/TFCE_mediation
tfce_mediation/tmanalysis/STEP_1_vertex_tfce_mediation.py
Python
gpl-3.0
11,411
[ "Gaussian" ]
ecccab5d9d0ba218c117ba6557ef8c3733a34f34e9770da6d09c99d5b406bbd2
''' Discrete-time integrator. Three different discrete-time integration algorithms are available: * Backward Euler (aka Backward Rectangular) * Forward Euler (aka Forward Rectangular) * Trapezoidal Note that all three implementations current assume uniform unit intervals between input time tags. @author: Brian ...
hardbyte/scipy-sim
scipysim/actors/math/dt_integrator.py
Python
gpl-3.0
5,089
[ "Brian" ]
190051a85d344651adc644b2d88931f1c6589d411c53a4e1f511ff4c992d3ba5
import collections import operator from functools import partial from ..ssa import objtypes from .. import graph_util from ..namegen import NameGen from ..verifier.descriptors import parseMethodDescriptor from . import ast, ast2, boolize from . import graphproxy, structuring, astgen, mergevariables class DeclInfo(ob...
alexkasko/krakatau-java
krakatau-lib/src/main/resources/Lib/Krakatau/java/javamethod.py
Python
gpl-3.0
37,957
[ "VisIt" ]
40ab2fe4bd7cda2996fe9e15348700c8247cdb55643708340e9f1ec4a4ac9dbc
""" core implementation of testing process: init, session, runtest loop. """ import enum import fnmatch import functools import importlib import os import sys import warnings import attr import py import _pytest._code from _pytest import nodes from _pytest.config import directory_arg from _pytest.config import hookim...
ekwoodrich/python-dvrip
env/lib/python3.5/site-packages/_pytest/main.py
Python
mit
24,853
[ "VisIt" ]
1294ef257050854e09bb72564c72af3e6c895931bde42e8fbee7325929162e26
# Copyright 2019 Arie Bregman # # 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 agree...
bregman-arie/rhoci
rhoci/jobs/routes.py
Python
apache-2.0
6,565
[ "Elk" ]
d791755975e77aa38c479ea6fb54e433b8b6eac1fed8fcecfab2d5950b6aefa2
# -*- 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-aiplatform
tests/unit/gapic/aiplatform_v1/test_metadata_service.py
Python
apache-2.0
361,748
[ "Octopus" ]
8b87494ecc910f260ff0d0f3d2c9f6db003a764a13342999b57539f4fcf3357f
#!/usr/bin/env pypy # -*- coding: utf-8 -*- import argparse import subprocess import os import math import gzip import tempfile import urllib import json import ssl __author__ = 'thomasvangurp' __description__ = "map reads orders of magnitudes faster using STAR" def parse_args(): """Pass command line arguments""...
thomasvangurp/epiGBS
mapping_varcall/map_STAR.py
Python
mit
27,043
[ "pysam" ]
5713ac4ae5d0bac7a987d2436658ef068c5ea31939ee54c4d7abc0e5f41646e8
# # Copyright (C) 2008, Brian Tanner # #http://rl-glue-ext.googlecode.com/ # # 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 requi...
evenmarbles/rlglued
tests/test_message_experiment.py
Python
bsd-3-clause
2,456
[ "Brian" ]
9a55a78f74ca3555f50d970e6f7e61a0057c104c42871c1908d3ca32696b5678
""" JobManagerHandler is the implementation of the JobManager service in the DISET framework The following methods are available in the Service interface submitJob() rescheduleJob() deleteJob() killJob() """ from __future__ import absolute_import from __future__ import division from __future_...
yujikato/DIRAC
src/DIRAC/WorkloadManagementSystem/Service/JobManagerHandler.py
Python
gpl-3.0
23,908
[ "DIRAC" ]
d80b1031c668f1ee1e51209c0ce5faf00aa3d7af8942630389a0c9d3dd845e87
#!/usr/bin/env python ######################################################################## # File : dirac-admin-sort-cs-sites # Author : Matvey Sapunov ######################################################################## """ Sort site names at CS in "/Resources" section. Sort can be alphabetic or by country...
DIRACGrid/DIRAC
src/DIRAC/ConfigurationSystem/scripts/dirac_admin_sort_cs_sites.py
Python
gpl-3.0
4,219
[ "DIRAC" ]
d3c8474b5022a4bf3d442dfcf092cc4ad6beee386a16eca2834f5e33a1a0558e
#!/usr/bin/env python #encoding=utf8 ''' Module describing multilayer neural network's functionality. @author Miroslav Hlavacek <mira.hlavackuj@gmail.com> ''' from __future__ import division import numpy as np import cPickle as pickle import layer import sectors # TODO ... maybe try different initialization of weigh...
MiraHead/mlmvn
src/network/network_old.py
Python
gpl-2.0
14,638
[ "NEURON" ]
f1611cf3dcdc755ee0d3f58dca85d1c5f2b017034f7e4b83d0ab20bdb21cdd8c
''' some pre-processing functions from github.com/HIPS/neural-fingerprint ''' import numpy as np from rdkit.Chem import MolFromSmiles import numpy as np from rdkit import Chem def one_of_k_encoding(x, allowable_set): if x not in allowable_set: raise Exception("input {0} not in allowable set{1}:".format...
GUR9000/KerasNeuralFingerprint
mol_graph.py
Python
mit
6,057
[ "RDKit" ]
9168e8005a67905c22ef2fcee7f6a1c18f4b079fe8db02fd65e8e51d8920e17d
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() # create pipeline # reader = vtk.vtkDataSetReader() reader.SetFileName(VTK_DATA_ROOT + "/Data/RectGrid2.vtk") reader.Update() warper = vtk.vtkWarpVector() warper.SetInpu...
hlzz/dotfiles
graphics/VTK-7.0.0/Filters/General/Testing/Python/WarpVectorImage.py
Python
bsd-3-clause
1,372
[ "VTK" ]
40e5566278bc9fbe570f2dbc1b8e45f50df903b56746c50ae5d122c4145bfc44
import math import random class Ant(): """ Ant class which navigates a graph using a pheromone based choice mechanism. Requires an Identifier, start position in graph and an ant colony containing the graph. Provided by antgraph and antcolony """ def __init__(self, ID, start_node, colony): ...
hpcarcher/2015-04-16-imperial-students
testing/ant.py
Python
gpl-2.0
4,889
[ "VisIt" ]
b1c882d32b6ba3978304a96c782cf41635ed385a28e9d78e2daf310965a76fd7
""" Provides rolling statistical moments and related descriptive statistics implemented in Cython """ from __future__ import division import warnings import numpy as np from pandas.types.common import is_scalar from pandas.core.api import DataFrame, Series from pandas.util.decorators import Substitution, Appender __a...
andyraib/data-storage
python_scripts/env/lib/python3.6/site-packages/pandas/stats/moments.py
Python
apache-2.0
31,610
[ "Gaussian" ]
77439b326c74e62a3344a175f9c1bac65b76b4c1d2e8a8fece362f98fe575cf3
from scipy.odr import odrpack as odr from scipy.odr import models import numpy as np def gaussian(B, x): ''' Returns the gaussian function for B=m,stdev,max,offset ''' return B[3] + B[2] / (B[1] * np.sqrt(2 * np.pi)) * \ np.exp(- ((x - B[0]) ** 2 / (2 * B[1] ** 2))) def double_gaussian(B, x): ""...
ITA-Solar/helita
helita/utils/fitting.py
Python
bsd-3-clause
13,586
[ "Gaussian" ]
b875184f38486784394604018bc8efb15215d6be7b51895046e8706d2dc999d3
#!/usr/bin/python # -*- coding: utf-8 -*- # # Copyright: (c) 2018, F5 Networks Inc. # GNU General Public License v3.0 (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) from __future__ import absolute_import, division, print_function __metaclass__ = type ANSIBLE_METADATA = {'metadata_version': '1.1', ...
alxgu/ansible
lib/ansible/modules/network/f5/bigip_asm_policy_server_technology.py
Python
gpl-3.0
13,639
[ "ASE", "Galaxy" ]
39485af239ca221d9f9cee24ab080c589475b6361c10d822fb4577e01b026a7f