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
""" Robust location and covariance estimators. Here are implemented estimators that are resistant to outliers. """ # Author: Virgile Fritsch <virgile.fritsch@inria.fr> # # License: BSD 3 clause import warnings import numbers import numpy as np from scipy import linalg from scipy.stats import chi2 from . import empi...
kevin-intel/scikit-learn
sklearn/covariance/_robust_covariance.py
Python
bsd-3-clause
32,366
[ "Gaussian" ]
8b53654689ac541ab6f1ff78896ed3474eab046f3fabcad86026bd389f9a7220
# Copyright 2016-2020 The GPflow Contributors. 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...
GPflow/GPflow
gpflow/models/sgpr.py
Python
apache-2.0
20,495
[ "Gaussian" ]
645221fbaa798179413ab447bc8ee9c82e7c805653c83dbbe87e97c888bef0f4
import os import unittest import warnings from pymatgen.analysis.solar.slme import optics, slme from pymatgen.util.testing import PymatgenTest class SolarTest(PymatgenTest): _multiprocess_shared_ = True def setUp(self): warnings.simplefilter("ignore") def tearDown(self): warnings.simple...
vorwerkc/pymatgen
pymatgen/analysis/solar/tests/test_slme.py
Python
mit
713
[ "pymatgen" ]
1f0124a7518986bfcc8c190b67671114a8d16de2b67ab3b2a5e75844bec21ae4
""" This app is intended to provide the core functionality for tracking user engagement with content and Kolibri in general. As such, it is intended to store details of user interactions with content, a summary of those interactions, interactions with the software in general, as well as user feedback on the content and...
DXCanas/kolibri
kolibri/core/logger/models.py
Python
mit
11,759
[ "VisIt" ]
ae85f38e33102bf30f632ce2992a05cc3b80daa82174f772aa65569fbe156683
# Import modules from standard Python library import os, sys, re, datetime, shutil, types, UserDict, glob # Import additional third party modules import numpy # Import our custom modules import xmlplot.common, xmlstore.util def openNetCDF(path,mode='r'): # Test if the path contains wildcard, and resolves to mult...
BoldingBruggeman/gotm
gui.py/xmlplot/data/netcdf.py
Python
gpl-2.0
87,431
[ "NetCDF" ]
60b840e869077281b5d23c326a37e92d1aedb6feb4f8722d153e79c0fb2f3a2b
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 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 #...
lothian/psi4
psi4/driver/driver_cbs.py
Python
lgpl-3.0
83,107
[ "CFOUR", "Psi4" ]
b8b84f1d4784e82177e8e9bb40a67be1e7671b38d73d91026ec94b9841e7379d
#! /usr/bin/env python #import math, pdb, sys #from numpy import * #from numpy.linalg import * #import random #from copy import copy from random import choice from numpy import array, random, ones, zeros, sin, vstack, hstack, argmax, diag, linalg, dot, exp #from sg import sg # Import shogun import string, ...
booi/aracna
RobotPi/SVMStrategy.py
Python
gpl-3.0
12,810
[ "Gaussian" ]
6ce5c3025e514e6dd186addae7ad1d02b0230819101e0e5d7bc3da3791f21c5c
#!/bin/env python #---------------------------------------------------------------------------- # Name: Main.py # Purpose: Testing lots of stuff, controls, window types, etc. # # Author: Robin Dunn # # Created: A long time ago, in a galaxy far, far away... # Copyright: (c) 1999-2017 by Total ...
dnxbjyj/python-basic
gui/wxpython/wxPython-demo-4.0.1/demo/Main.py
Python
mit
94,659
[ "Galaxy" ]
616c4e274497dc1e8adc06e136364174122fe13df74089ff87051c9f117bd20b
# 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,cint from frappe import _ from frappe.model.mapper import g...
indictranstech/focal-erpnext
selling/doctype/sales_order/sales_order.py
Python
agpl-3.0
20,315
[ "VisIt" ]
7b3ef017ee92f0865b76a7ab44cacc523f5da7e5c85c5109c8f73429911f7a6a
#!/usr/bin/env python import functools import getpass import sys import subprocess import urllib2 import json import os import re import webbrowser import zipfile import threading import time from contextlib import contextmanager HEADER = '\033[95m' OKBLUE = '\033[94m' OKGREEN = '\033[92m' WARNING = '\033[93m' FAIL =...
rfw/socorromatic
installer.py
Python
mpl-2.0
11,431
[ "VisIt" ]
4767f50a65c110589356d37162a32ebb89c9ed3b398fe16c048bda14bb775051
from typing import Optional from backend.common.run_after_response import run_after_response class GoogleAnalytics: """ Class that manages sending information to Google Analytics For more information about GAnalytics Protocol Parameters, visit https://developers.google.com/analytics/devguides/collec...
the-blue-alliance/the-blue-alliance
src/backend/common/google_analytics.py
Python
mit
1,848
[ "VisIt" ]
c099e68b2fc25acbcef668ac008e768f380b97cd557103f0a225a330a5a03eea
############################################################################## # Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
mfherbst/spack
var/spack/repos/builtin/packages/r-spem/package.py
Python
lgpl-2.1
1,722
[ "Bioconductor" ]
409ea052fd0be0a581c2f530f462629d63be0ea9014331e9cf3278b7e985fccd
# Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2009 Brian G. Matherly # # 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 op...
SNoiraud/gramps
gramps/plugins/lib/libgrampsxml.py
Python
gpl-2.0
1,447
[ "Brian" ]
7551143b5d685c57d9839c3ff81193ed92060fce2aa9816db7b0076abab9cccd
# -*- coding: utf-8 -*- """ For information and usage see README, or http://pypi.python.org/pypi/numericalunits """ #Copyright (C) 2012 Steven Byrnes # #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 Softw...
schoolie/numericalunits
numericalunits.py
Python
mit
10,760
[ "Avogadro", "Dalton" ]
0c122dcadd2ce10630a4c94329a6f124aea195f385a20d5be37ce04d67adc73e
#!/usr/bin/env python # # Author: Qiming Sun <osirpt.sun@gmail.com> # ''' Integrals for spin-orbit coupling See also functions make_h1_soc, direct_spin_spin in pyscf/prop/zfs/uhf.py ''' import numpy from pyscf import gto from pyscf import lib mol = gto.M( verbose = 0, atom = 'C 0 0 0; O 0 0 1.5', basi...
gkc1000/pyscf
examples/gto/20-soc_ao_integrals.py
Python
apache-2.0
1,462
[ "PySCF" ]
b29a2ef02094a1836725ad4c3c3f399f544c80c50894a657dc83048bef9fb05d
############################################################################## # 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/py-phonopy/package.py
Python
lgpl-2.1
1,833
[ "phonopy" ]
33a189cf07ca08589f53fda5208b006d7b48d004073fb560e9c4d71c6d26d8a0
# $HeadURL: $ ''' SpaceTokenOccupancyCommand The Command gets information of the SpaceTokenOccupancy from the lcg_utils ''' import lcg_util from DIRAC import gLogger, S_OK, S_ERROR from DIRAC.Core.Utilities.Subprocess import py...
Sbalbp/DIRAC
ResourceStatusSystem/Command/SpaceTokenOccupancyCommand.py
Python
gpl-3.0
6,129
[ "DIRAC" ]
8d19b79a8846971db9b9860e216e9a1253e23a662051a956e127d2a577ada740
#!/usr/bin/env python # Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
gkc1000/pyscf
pyscf/pbc/gto/basis/parse_cp2k.py
Python
apache-2.0
2,822
[ "CP2K", "PySCF" ]
df676e6e398d00f170f8bd9b48f296645b207a9073a06108a90bdaba026dec3a
#!/usr/bin/env python # This script requires all matrices to be in PETSc binary format in the petsc subdir import sys, os, glob, random import datetime,time from solvers import * petsc = False if petsc: tmdir = 'timing-aciss' matrixsubdir = 'petsc' petsc_matrix_suffix='.petsc' donefile = 'DONE' jobname = 'p...
LighthouseHPC/lighthouse
sandbox/petsc/new/solverscript-aciss.py
Python
mit
3,666
[ "MOOSE" ]
cbb318b2ae9a64c6fa0391405f975d7d4d6be026e240ecb1075ef040477fc334
""" created on Feb 3, 2014 @author: Nikola Jajcay, jajcay(at)cs.cas.cz inspired by A Practical Guide to Wavelet Analysis by Ch. Torrence and G. Compo -- http://paos.colorado.edu/research/wavelets/ -- """ import numpy as np from scipy.fftpack import fft, ifft from scipy.special import gamma def morlet(k, scale, k0 =...
jajcayn/pyclits
pyclits/wavelet_analysis.py
Python
mit
5,336
[ "Gaussian" ]
ca054f6b0aa39b328c6a451074e2d601b7552102007a12f620d717f7e781db6a
""" The ``model`` module ====================== Contains the class Model which implements the core model for CG detection, training, testing and visualization functions. """ import os import time import random from . import image_loader as il import tensorflow as tf import matplotlib.pyplot as plt ...
NicoRahm/CGvsPhoto
CGvsPhoto/model.py
Python
mit
57,552
[ "Gaussian" ]
5b36eeb2f1d560d32900c7533d1257625f20971760c2c8cda10fdbfbe1d2ac66
import mayavi import vtk import pyvtk import numpy as N try: from vtk.util import vtkConstants except ImportError: class vtkConstants: pass vtkConstants.VTK_CHAR=2 vtkConstants.VTK_UNSIGNED_CHAR = 3 vtkConstants.VTK_SHORT = 4 vtkConstants.VTK_UNSIGNED_SHORT = 5 vtkConstant...
martindurant/misc
mayatools.py
Python
mit
6,427
[ "Mayavi", "VTK" ]
6a04fc446c400a4003a8bb746962470a83db8bb8a5d6804c35d4cc3ef596cb98
# -*- coding: utf-8 -*- # QuickFF is a code to quickly derive accurate force fields from ab initio input. # Copyright (C) 2012 - 2019 Louis Vanduyfhuys <Louis.Vanduyfhuys@UGent.be> # Steven Vandenbrande <Steven.Vandenbrande@UGent.be>, # Jelle Wieme <Jelle.Wieme@UGent.be>, # Toon Verstraelen <Toon.Verstraelen@UGent.be>,...
molmod/QuickFF
quickff/tests/test_valence.py
Python
gpl-3.0
14,711
[ "Gaussian" ]
4ab92d5381efcbaf779e8618a52cc426943c98c1833e8531b095126e738c4cea
import sys import json from os.path import expanduser, isfile import locale import ap2en import click import requests from collections import OrderedDict import zipfile import os import time import xml.etree.ElementTree as ET import re # Workaround to support the correct input for both Python 2 and 3. Always use # in...
therzka/runner
transcriptic.py
Python
bsd-3-clause
25,847
[ "VisIt" ]
4c5692012271afd3bf035e5a19d6b2eafc0f3b84fcf477bcdb717c14d8380d38
""" Custom nodes for a Tree Editor that provide views for adding various nodes to the tree. """ # Authors: Judah De Paula <judah@enthought.com> # Prabhu Ramachandran <prabhu_r@users.sf.net> # Copyright (c) 2008, Enthought, Inc. # License: BSD Style. # Enthought library imports. from traits.api import (HasTrai...
dmsurti/mayavi
mayavi/core/adder_node.py
Python
bsd-3-clause
13,361
[ "Mayavi" ]
cbe6ddb9edc3db4f2421570ba4d0bf8d065a775c7bec67cbba1cc54592d82a69
# -*- coding: utf-8 -*- # File: deform.py from .base import ImageAugmentor from ...utils import logger import numpy as np __all__ = [] # Code was temporarily kept here for a future reference in case someone needs it # But it was already deprecated, # because this augmentation is not a general one that people will o...
eyaler/tensorpack
tensorpack/dataflow/imgaug/deform.py
Python
apache-2.0
3,718
[ "Gaussian" ]
b0aeda6dd9d36cf53cdc168386bd109dca80677ef63e97d955a479253a501692
#!/usr/bin/env python # Copyright 2015 The Kubernetes Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by appli...
hodovska/cluster-capacity
verify/boilerplate/boilerplate.py
Python
apache-2.0
6,314
[ "VisIt" ]
70b61e53977c7cf756f769d0c7dd9c140b3270b260bd338cdfbefc1fbf5cdc22
# -*- coding: utf-8 -*- import os import swc2vtk import swcfilelist # input_dir = '/home/nebula/git/LAL-VPCmapping/converted_swc' input_dir = './swc' output_dir = '/home/nebula/work/paraview/standardbrain20170131/' if not os.path.isdir(output_dir): os.mkdir(output_dir) filelist = swcfilelist.filelist_lalvpc vt...
DaisukeMiyamoto/swc2vtk
examples/append_allswc.py
Python
apache-2.0
639
[ "ParaView", "VTK" ]
bacc18099410147c56346216fddaba36a98d91c1b2744e210393b547f18fb5da
""" Migration script to create the tool_version and tool_version_association tables and drop the tool_id_guid_map table. """ from sqlalchemy import * from sqlalchemy.orm import * from migrate import * from migrate.changeset import * import datetime now = datetime.datetime.utcnow # Need our custom types, but don't imp...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/model/migrate/versions/0091_add_tool_version_tables.py
Python
gpl-3.0
5,125
[ "Galaxy" ]
99e9ad15c6dc830ec3bba8964bf554de1faf2b2fff3432dba6a496ae50a5294b
#! /usr/bin/env python # Hi There! # You may be wondering what this giant blob of binary data here is, you might # even be worried that we're up to something nefarious (good for you for being # paranoid!). This is a base64 encoding of a zip file, this zip file contains # a fully functional basic pytest script. # # Pyt...
dmargala/tpcorr
runtests.py
Python
mit
236,863
[ "Elk" ]
b1dde6cfd35b8be1183cf1cf35efaa310e6f4ce3ed33dfb881c3fba1f0ab7d04
# Orca # # Copyright 2005-2009 Sun Microsystems Inc. # Copyright 2010 Orca Team. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option)...
h4ck3rm1k3/orca-sonar
src/orca/scripts/toolkits/Gecko/script.py
Python
lgpl-2.1
179,946
[ "ORCA" ]
cde85454020b8b5315d6c148cf3a042744c1138973c509d2bcf2e7cb728f80fe
# -*- coding: utf-8 -*- # SyConn - Synaptic connectivity inference toolkit # # Copyright (c) 2016 - now # Max-Planck-Institute of Neurobiology, Munich, Germany # Authors: Philipp Schubert, Joergen Kornfeld import os import glob import shutil import sys import argparse import numpy as np from syconn import global_param...
StructuralNeurobiologyLab/SyConn
examples/start.py
Python
gpl-2.0
13,097
[ "NEURON" ]
dc155c310ad810c4c19f89dac4897e757abaec5a7d3ef0d97abaf97708975ccb
# $Id$ # # Copyright (C) 2001-2008 greg Landrum and Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """unit testing code ...
ptosco/rdkit
rdkit/ML/Cluster/UnitTestCluster.py
Python
bsd-3-clause
6,718
[ "RDKit" ]
2c01812618917c5121340971b0dcbca300b7b9d7b32d5ab99f4e8b605ef30897
from __future__ import division import os import os.path as osp import inspect from threading import Thread from functools import partial from glob import glob from importlib import import_module import re import six from collections import defaultdict from itertools import chain, product, repeat, starmap, count, cycle...
Chilipp/psyplot
psyplot/data.py
Python
gpl-2.0
191,460
[ "NetCDF" ]
32debfed6101e650ae0fab04e49c27c5046cd71d833e0137c5acee30cd3cebc7
""" Choropleth mapping using PySAL ToDo: * map_line_shp, map_point_shp should take a shp object not a shp_link * Same for map_poly_shp(_lonlat) """ __author__ = "Sergio Rey <sjsrey@gmail.com>", "Dani Arribas-Bel <daniel.arribas.bel@gmail.com" from warnings import warn import pandas as pd import pysal as ps...
TaylorOshan/pysal
pysal/contrib/viz/mapping.py
Python
bsd-3-clause
42,037
[ "COLUMBUS" ]
605b3727f664df5bdc4d7f2465e513c7918b38099f34cac91d7b5d507865bc99
""" JobMonitoringHandler is the implementation of the JobMonitoring service in the DISET framework The following methods are available in the Service interface """ __RCSID__ = "$Id$" from DIRAC import S_OK, S_ERROR from DIRAC.Core.DISET.RequestHandler import RequestHandler import DIRAC.Core.Utilities.Time as...
andresailer/DIRAC
WorkloadManagementSystem/Service/JobMonitoringHandler.py
Python
gpl-3.0
19,283
[ "DIRAC" ]
4ccf006f1ce159462313222d0bd09734dc1d5262d47a9d9c2ce16f24f98aec04
# List Splunk Hosts by Sourcetype # For use with Munk - Maltego for Splunk # Author: Brian Warehime @nulltr0n # 9/6/2014 # Importing various modules from MaltegoTransform import * import subprocess import sys import re import ConfigParser import os # Configuration Parser to grab necessary options. def getLocalConfP...
brianwarehime/munk
transforms/listhostsourcetype.py
Python
gpl-2.0
3,584
[ "Brian" ]
febe9ee4159e7a4825b0330a0106a2380374241b50cb636fc9d6fd1579da4da0
""" A set of useful functions for working with OAI-PMH data """ from datetime import datetime import base64, json from octopus.core import app class DateFormat(object): """ Class which helps us manage the date formats allowed by the standard """ @classmethod def granularity(self): """ ...
JiscPER/jper-oaipmh
service/oaitools.py
Python
apache-2.0
5,812
[ "Octopus" ]
aac08dd22613fdd3c4fb090060fd40892b34763724bfb2754c0850969259a033
# Transformer/Framework/BatchIO.py # ------- # Imports # ------- import os; import warnings; from Transformer.IO import StructureSetIO; # ----------------------------- # Batch Import/Export Functions # ----------------------------- def ExportResultSet(resultSet, fileFormat = 'vasp', prefix = None, archiveDirecto...
JMSkelton/Transformer
Transformer/Framework/BatchIO.py
Python
gpl-3.0
7,480
[ "VASP" ]
a748d2a7c90c842df09297e72fc8fb40d1fca2dfd2d98392fe3435cfc684f8ac
# 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...
capoe/espressopp.soap
src/interaction/DihedralHarmonicUniqueCos.py
Python
gpl-3.0
3,722
[ "ESPResSo" ]
017f475499e2b435bb01d3c34e93eaa9e6dc7ce79c9989eaa7350b1b613bb347
import astroid import inspect from pylint.interfaces import IAstroidChecker from pylint.checkers import BaseChecker from pylint.checkers.utils import check_messages class ForbiddenImportChecker(BaseChecker): __implements__ = IAstroidChecker name = 'forbidden_import' msgs = {'E9999': ('Yo...
RyanDJLee/pyta
python_ta/checkers/forbidden_import_checker.py
Python
gpl-3.0
2,792
[ "VisIt" ]
b6c31168ba0fd299f2d954df27c718bd0375029e3e9fb2ad3313e6d9abbaf483
#!/usr/bin/env python """Prevent unwanted files from being added to the source tree.""" from __future__ import (absolute_import, division, print_function) __metaclass__ = type import os import sys def main(): """Main entry point.""" paths = sys.argv[1:] or sys.stdin.read().splitlines() allowed_extension...
maxamillion/ansible
test/sanity/code-smell/no-unwanted-files.py
Python
gpl-3.0
1,232
[ "Galaxy" ]
590d5aa0f80bddccecd0f73624023354462a3457966e29f8c9eafaf383a83ddf
#!/usr/bin/python #FILE DESCRIPTION======================================================= #~ Python script used for post-processing automatization of flow on an #~ inclined (?textured?) plate (minimal postprocessing to test the results) #~ #~ NOTES: #~ - still unfinished BUT improvement #~ USAGE: #~ paraF...
MartinIsoz/CFD_oF
05_freibergExpSetUp/00_Scripts/postProcMinimalV2.py
Python
gpl-2.0
6,562
[ "ParaView" ]
7a8ac627cc964966254a0962c1ccca54243f69b6d8837db1ec03f09ccc553f49
# -*- coding: utf-8 -*- # # test_parrot_neuron.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 2 of the Lice...
SepehrMN/nest-simulator
pynest/nest/tests/test_parrot_neuron.py
Python
gpl-2.0
10,016
[ "NEURON" ]
7151170dd330dd22ac7c7d392aafa80da8465d425221a5edec1d557f178b79e4
from __future__ import absolute_import # coding=utf-8 from flask import request from flask.views import MethodView from flask.blueprints import Blueprint from firefly.models.consts import KEYBOARD_URL_MAPS from firefly.libs.template import render_template bp = Blueprint('keyboard', __name__, url_prefix='/keyboard') ...
matrixorz/firefly
firefly/views/keyboard.py
Python
mit
817
[ "Firefly" ]
7eac1f20fdaf37603e4546bebd5585aa02fd8162ef9faa792b25d83c738143a2
#!/usr/bin/env python """ Testing k-means clustering for purely random and normally distributed data """ import os import math import random from numpy import array, random as numpy_random from ase.data import chemical_symbols from kmeans import Point, kmeans, k_from_n from element_groups import get_element_group from...
ansobolev/tilde
tutorials/simple_data_mining/sample_kmeans.py
Python
mit
2,670
[ "ASE", "Gaussian" ]
e274284b7253052758de0741c2b76de2458feb0bc544e79666673cc5b934cc53
import os import re from datetime import datetime from flask import current_app as app, render_template, request, redirect, abort, jsonify, url_for, session, Blueprint, Response, send_file from jinja2.exceptions import TemplateNotFound from passlib.hash import bcrypt_sha256 from sqlalchemy import union_all from CTFd....
jaboyles/CFTD_Senior_Project
CTFd/views.py
Python
apache-2.0
12,054
[ "Brian" ]
f911a8e1046ed35399aab23c6c39c306a23ddf30a41b453a18107cda2c8b85da
#!/usr/bin/env python """ File Catalog Client Command Line Interface. """ __RCSID__ = "$Id$" import stat import cmd import commands import os.path import time import sys from types import DictType, ListType from DIRAC import gConfig from DIRAC.Core.Security import CS from DIRAC.Core.Security.ProxyInfo import getPro...
Sbalbp/DIRAC
DataManagementSystem/Client/FileCatalogClientCLI.py
Python
gpl-3.0
76,823
[ "DIRAC" ]
c80329ccf449dc6e8f664535bfef3c6f289319610112597ecbf4e73e227b422c
# -*- coding: utf-8 -*- import document import interface import package import rulegenerator import testgenerator class ArgumentVisitorBase(interface.ArgumentVisitor): def visitReturnValue(self, retValue): self.visitAllocation(retValue) class SingleArgumentVisitor(ArgumentVisitorBase): """ V...
uboot/stromx-opencv
opencv/methodgenerator.py
Python
apache-2.0
62,812
[ "VisIt" ]
50161b6438dfe7282357aaf833b623146d3651871ae0083b74be15c1df46eeeb
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # html_writer - [insert a few words of module description on this line] # Copyright (C) 2003-2009 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 ...
heromod/migrid
mig/reST/html_writer.py
Python
gpl-2.0
1,966
[ "Brian" ]
965e3ce4dfc91bc837b1e2ed01fcface72579c98654231af7420171e395df2de
# -*- coding: utf-8 -*- """readers module of the nc2map python module This script contains the basic data danagement utilities in the nc2map module. It contains the following reader classes - The ReaderBase class defines the main methods for all readers, such as data extraction, the merging method and the a...
Chilipp/nc2map
readers.py
Python
gpl-2.0
129,034
[ "NetCDF" ]
9f005a857e866b94a6a15a58fdd5ba0f92d555db673851a7937547bb5547552f
# coding: utf-8 """ Unicode Emojis for Python-Markdown ================================== Converts defined emoticon symbols to Unicode emojis, supported on a variety of devices [1]. [1]: http://apps.timwhitlock.info/emoji/tables/unicode#block-1-emoticons Usage: >>> from __future__ import print_function >>> ...
Naereen/cuisine
plugins/mdx_unimoji/mdx_unimoji.py
Python
mit
47,452
[ "Bowtie", "CASINO", "CRYSTAL", "ESPResSo", "Octopus" ]
4cc7ae572137d38c54165eb282487b7d5548594a760d9da395de4dc28d1e7170
# -*- coding: utf-8 -*- # # This file is part of EventGhost. # Copyright © 2005-2016 EventGhost Project <http://www.eventghost.net/> # # EventGhost 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 versio...
WoLpH/EventGhost
_build/Build.py
Python
gpl-2.0
5,391
[ "VTK" ]
31a15048105129e69d38a292bb52670361c4f10f0a06130fe1e168f748e336a3
import requests import os class attack: session = requests.Session() # the login page url1 = 'http://127.0.0.1:8080/WebGoat/login.mvc' # where login credentials are posted to url2 = 'http://127.0.0.1:8080/WebGoat/j_spring_security_check' # login payload payload = {'username':'guest','password':'guest'} # tak...
mtesauro/gauntlt-demo
examples/webgoat/vuln-26/attack.py
Python
mit
1,189
[ "VisIt" ]
5671274f77308bcf9a6a3ba6a987feafbc67b1489d9e1b31e3600f6b60226da2
import sys sys.path.append('../../') import amber_run_tests as ar def test_get_tests_from_test_name(): assert ar.get_tests_from_test_name('test.serial', 'Makefile.amber') == \ ['test.serial.MM', 'test.serial.QMMM', 'test.serial.sander.SEBOMD', 'test.serial.emil', 'test.seria...
Amber-MD/ambertools-conda-build
conda_tools/test/test_amber_run_tests/test_amber_run_tests.py
Python
mit
432
[ "Amber" ]
b757fb5f092fdf6eee3b96547116e43cf7d63b85109f3a5c86d8ecd06f52228c
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ JahnTeller distortion analysis. """ import os import warnings from typing import Any, Dict, Optional, Tuple, Union import numpy as np from pymatgen.analysis.bond_valence import BVAnalyzer from pymatgen....
gmatteo/pymatgen
pymatgen/analysis/magnetism/jahnteller.py
Python
mit
20,445
[ "CRYSTAL", "pymatgen" ]
5a76833640aec69d63e1a8eb59ece7281c0eb73facdb7f80f82e4e70c7b20579
"""Gaussian processes classification.""" # Authors: Jan Hendrik Metzen <jhm@informatik.uni-bremen.de> # # License: BSD 3 clause from operator import itemgetter import numpy as np from scipy.linalg import cholesky, cho_solve, solve import scipy.optimize from scipy.special import erf, expit from ..base import BaseEst...
shyamalschandra/scikit-learn
sklearn/gaussian_process/_gpc.py
Python
bsd-3-clause
35,129
[ "Gaussian" ]
7b21ec5046d4f0d483c242e6f9db84f001a9c710c7f33502b697e2990ad1ece0
#!/usr/bin/env python # Copyright 2013 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. """The frontend for the Mojo bindings system.""" import argparse import imp import os import pprint import sys script_dir = os.path....
anirudhSK/chromium
mojo/public/bindings/mojom_bindings_generator.py
Python
bsd-3-clause
4,091
[ "VisIt" ]
22451d564fca7ab3d0ac36305095b234eaf345299fc379c801c5e58905572bb0
"""Oral Argument Audio Scraper for Eighth Circuit Court of Appeals CourtID: ca8 Court Short Name: 8th Cir. Author: Brian W. Carver Date created: 2014-06-21 History: - 2014-07-22: download_url fixed by mlr """ from datetime import datetime from juriscraper.OralArgumentSite import OralArgumentSite class Site(OralArg...
Andr3iC/juriscraper
oral_args/united_states/federal_appellate/ca8.py
Python
bsd-2-clause
2,115
[ "Brian" ]
f586af308ededdbdae13ed25fb26cb629be5b107192ce45c7033086d4a833a4a
#!/usr/bin/env """ HROISST_Station.py Retrieve NCEP HighRes OI SST for defined station: Save in EPIC NetCDF standard Modified 2016-12-06: Use sbell unified package subroutines for netcdf/time - cleanup code """ #System Stack import datetime import sys import argparse #Science Stack import numpy as np from n...
shaunwbell/FOCI_Analysis
NCEP_WindsSFCtemp_Station.py
Python
mit
9,719
[ "NetCDF" ]
3cf9a8a82c81b86847b9445a78b247ca14367720d0b49ead7683eee4e2b859b5
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import unicode_literals import unittest import tempfile import numpy.testing.utils as nptu from six.moves import zip from io import open import os import json from monty.json import MontyDecode...
xhqu1981/pymatgen
pymatgen/util/testing.py
Python
mit
6,039
[ "pymatgen" ]
5978bd4d39eb24576b9d6c4c573d10908c2677e2ffb758bed0e72c222fe8faa7
# coding=utf-8 import os import platform import sys from typing import Optional, Dict, Any, List from dbt.logger import GLOBAL_LOGGER as logger import dbt.clients.system import dbt.config import dbt.utils import dbt.exceptions from dbt.links import ProfileConfigDocs from dbt.adapters.factory import get_adapter, regist...
fishtown-analytics/dbt
core/dbt/task/debug.py
Python
apache-2.0
13,454
[ "VisIt" ]
7e41cb858ae5701931a0d58e107395eebe2841911ee75f6803b5082f8583491d
# Checks for Ticket #11 from asap3 import * from ase.lattice.cubic import FaceCenteredCubic from asap3.testtools import ReportTest print "Test for Ticket #11: https://trac.fysik.dtu.dk/projects/Asap/ticket/11" atoms = FaceCenteredCubic(directions=[[1,0,0],[0,1,0],[0,0,1]], size=(6,6,6), sym...
auag92/n2dm
Asap-3.8.4/Test/ChangeUnitCell.py
Python
mit
928
[ "ASE" ]
0947e0e963651d954137b9169afb870bda0f5318f585965230522569026e83ff
#!/usr/bin/env python3 """ INPUT Expected input file format (pileup): Each line consists of 5 (or optionally 6) tab-separated columns: 1. Sequence identifier 2. Position in sequence (starting from 1) 3. Reference nucleotide at that position 4. Number of aligned reads covering that position (depth of co...
jorvis/biocode
sandbox/jorvis/generate_read_coverage_figure.py
Python
mit
4,414
[ "Bowtie" ]
95e424674eab37f5ca1dd49e526c7816cd890ebbf338725436376c53ffa7e39f
# Copyright (c) 2012 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. """Provides an interface to start and stop Android emulator. Emulator: The class provides the methods to launch/shutdown the emulator with ...
appknox/xysec_adb
xysec_adb/pylib/utils/emulator.py
Python
apache-2.0
14,436
[ "Galaxy" ]
fa68ed57b49f44ec70012b818c0dd1eb4a5f390e6b651259ddba0a293d8c5eec
# 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/sampling/samRandom.py
Python
mit
56,444
[ "Gaussian" ]
ffc816185b298a568d71c1cde06ca3414e01ed8c01c9f82ae3e10aca14fc9c0c
""" Filename: lss.py Reference: http://quant-econ.net/py/linear_models.html Computes quantities associated with the Gaussian linear state space model. """ from textwrap import dedent import numpy as np from numpy.random import multivariate_normal from scipy.linalg import solve import warnings #-Check if Numba is Ava...
dingliumath/quant-econ
quantecon/lss.py
Python
bsd-3-clause
10,481
[ "Gaussian" ]
e923c035361c63ae10c015aeae3248355765a940f8c91675f087d94ffba8f108
# 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...
capoe/espressopp.soap
src/analysis/NPart.py
Python
gpl-3.0
1,624
[ "ESPResSo" ]
c022a59e5387f84e29fdc6cc73b28a569e2383031bc5895460814b5620f36fd2
# # gPrime - A web-based genealogy program # # Copyright (C) 2002-2007 Donald N. Allingham # Copyright (C) 2007-2008 Brian G. Matherly # # 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 ...
sam-m888/gprime
gprime/filters/rules/person/_hasnameof.py
Python
gpl-2.0
3,872
[ "Brian" ]
0ba59e7f70a0af9b3b8c071a27d7ac091894c3733b30935c15127fb644c33a57
import os import numpy from PyML.classifiers import svm,multi,ridgeRegression,knn,composite,modelSelection,platt from PyML.feature_selection import featsel from PyML.containers import ker,labels from PyML.containers import vectorDatasets from PyML.containers.aggregate import Aggregate from PyML.containers.kernelData i...
cathywu/Sentiment-Analysis
PyML-0.7.9/PyML/demo/test.py
Python
gpl-2.0
7,168
[ "Gaussian" ]
7a590baef54d86443e699f326a8e3e857658e9833f86d01585baae452f1ff277
import pylab from matplotlib.font_manager import FontProperties import matplotlib.cm def graph_pop_heatmap_raw(pop, identify, minimize=False, colormap="jet", filesave=None): pylab.imshow(pop, aspect="auto", interpolation="gaussian", cmap=matplotlib.cm.__dict__[colormap]) pylab.title("Plot of pop. raw scores alon...
ecervera/ga-nb
pyevolve_plot.py
Python
mit
10,489
[ "Gaussian" ]
cdb768308a55a58869a97b8ca187b0ad8e087ee2d9d41aa048c85923a097d750
# -*- coding: utf-8 -*- from south.utils import datetime_utils as datetime from south.db import db from south.v2 import SchemaMigration from django.db import models class Migration(SchemaMigration): def forwards(self, orm): # Adding index on 'Visit', fields ['wrhi_orig_date'] db.create_index(u'co...
praekelt/txtalert
txtalert/core/migrations/0023_auto__add_index_visit_wrhi_orig_date__add_index_visit_date__add_index_.py
Python
gpl-3.0
17,476
[ "VisIt" ]
60fa4402a27da64aa25be51eca01089438c72000750df7255fa2476d3f039c64
# # Copyright (C) 2005 John Ashley Burgoyne and Ichiro Fujinaga # 2012 Andrew Hankinson # 2011-2012 Christoph Dalitz # # 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 F...
hsnr-gamera/gamera
gamera/plugins/binarization.py
Python
gpl-2.0
15,930
[ "Brian" ]
aaafd2da41c685f82230f9aebaf979351730b4fb908c0fe73b08723564d21786
import bge class Ressource(bge.types.KX_GameObject): def __init__(self, parent): self.material = 10000 class Mine(Ressource): def __init__(self, parent): super(Mine, self).__init__(parent) self.material = 10000 class Tree(Ressource): def __init__(self, parent): super...
folkrav/rts-b51
src/projectX/ressource.py
Python
gpl-3.0
519
[ "CRYSTAL" ]
aafd27a6f9b1ec82498e179176767ec6203030f78643723694074d6193dcde48
#!/usr/bin/python # -*- coding: utf-8 -*- from __future__ import (absolute_import, division, print_function) __metaclass__ = type # # Copyright (C) 2017 Lenovo, Inc. # # 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 Licens...
hryamzik/ansible
lib/ansible/modules/network/cnos/cnos_factory.py
Python
gpl-3.0
5,299
[ "VisIt" ]
a0ef776eb2c2ef0ac85d6475230556d46b754003bb70381427cd20be198a1389
#!/usr/bin/env python ######################################################################## # File : dirac-wms-cpu-normalization # Author : Ricardo Graciani ######################################################################## """ Determine Normalization for current CPU """ __RCSID__ = "$Id$" import DIRAC f...
sposs/DIRAC
WorkloadManagementSystem/scripts/dirac-wms-cpu-normalization.py
Python
gpl-3.0
2,118
[ "DIRAC" ]
59ebb5d9fa3d99f3d94d00d899f390faa830c60292ff9277eaaee3d131b3bc09
# -*- coding: utf-8 -*- """ .. _tut-artifact-ica: Repairing artifacts with ICA ============================ This tutorial covers the basics of independent components analysis (ICA) and shows how ICA can be used for artifact repair; an extended example illustrates repair of ocular and heartbeat artifacts. For conceptu...
bloyl/mne-python
tutorials/preprocessing/40_artifact_correction_ica.py
Python
bsd-3-clause
29,351
[ "Gaussian" ]
b0c26ec8fe42b2d8880eaa7c64a2cfb7decfee5b8148b231257ba94e61dfaedd
# # Copyright 2016 The BigDL Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in ...
intel-analytics/BigDL
python/chronos/src/bigdl/chronos/forecaster/tfpark_forecaster.py
Python
apache-2.0
1,366
[ "ORCA" ]
9fc21a0c0eadaf2c49bf1d0954cb2610e14c82117afedea2b09e47b4a12807d5
import numpy as np import numpy.matlib import math import random import os import xml.etree.ElementTree as ET import tensorflow as tf from utils import * class Model(): def __init__(self, args, logger): self.logger = logger # ----- transfer some of the args params over to the model # model params self.rnn_...
Charleo85/ml_project
resource/scribe/model.py
Python
mit
10,496
[ "Gaussian" ]
4a6ac518c568bac94dcca650aec0fa95b9b37e0a6eb35686ab925be3fb3fec61
""" omniCLIP is a CLIP-Seq peak caller Copyright (C) 2017 Philipp Boss 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) an...
philippdre/omniCLIP
omniCLIP/data_parsing/GetCoverageFromBam.py
Python
gpl-3.0
10,108
[ "pysam" ]
c9721cec0c86c23e16579c0709f26c60afb1f2669f3c9624c6f9c669e8a3cb02
# # Licensed to the Apache Software Foundation (ASF) under one or more # contributor license agreements. See the NOTICE file distributed with # this work for additional information regarding copyright ownership. # The ASF licenses this file to You under the Apache License, Version 2.0 # (the "License"); you may not us...
charlesccychen/beam
sdks/python/apache_beam/runners/portability/fn_api_runner.py
Python
apache-2.0
70,063
[ "VisIt" ]
b9df03e3f65ede93640782f9baa9e91cf48e6a3eedb17d4b723b2d1d1ff07216
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import warnings warnings.warn("pymatgen.analysis.elasticity.tensors has been moved to " "pymatgen.core.tensors, please update dependencies accordingly. " "Links will removed in v201...
dongsenfo/pymatgen
pymatgen/analysis/elasticity/tensors.py
Python
mit
366
[ "pymatgen" ]
13fdfc2e47628b663aad41c8e94eb40c192f527bf4d5e388984803dc8bc01f74
from ..error import GraphQLError from ..language.ast import FragmentDefinition, FragmentSpread from ..language.visitor import Visitor, visit from ..utils import TypeInfo from ..type import GraphQLSchema from . import rules as Rules specified_rules = [ Rules.UniqueOperationNames, Rules.LoneAnonymousOperation, ...
jhgg/graphqllib
graphql/core/validation/__init__.py
Python
mit
4,372
[ "VisIt" ]
34628bf452bc97a7bf428b5a0673b9b6fb82735fa6665778352ec476d2edc8ba
"""annotate fusion outputs from STAR and Tophat Supported: oncofuse: http://www.unav.es/genetica/oncofuse.html github: https://github.com/mikessh/oncofuse """ from __future__ import print_function import os import pysam from bcbio.utils import file_exists from bcbio.distributed.transaction import file_transaction...
mjafin/bcbio-nextgen
bcbio/rnaseq/oncofuse.py
Python
mit
7,469
[ "pysam" ]
d2843315735610fc1a3b1cb58f574804f967acbdd66779cd5904ea3c273d70c9
# Orca # # Copyright 2005-2008 Google Inc. # Portions Copyright 2007-2008, Sun Microsystems, Inc. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or...
GNOME/orca
src/orca/acss.py
Python
lgpl-2.1
3,569
[ "ORCA" ]
aeed5e5ea790645c5a055e1b70282bd6983bddbd136802c34ad7b76b8de077d8
#!/usr/bin/env python ## ## Biskit, a toolkit for the manipulation of macromolecular structures ## Copyright (C) 2004-2018 Raik Gruenberg & Johan Leckner ## ## 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 Softwar...
graik/biskit
archive_biskit2/scripts/Mod/analyse.py
Python
gpl-3.0
3,127
[ "PyMOL" ]
fa9f5eda6a1b7d5b331f0cb303e4f8b3454bf373be6a3034f54120783bd0c4aa
import os import math import numpy as np import pickle as pickle from ase import Atoms from ase.data import chemical_symbols from ase.cluster.base import ClusterBase class Cluster(Atoms, ClusterBase): symmetry = None surfaces = None lattice_basis = None resiproc_basis = None atomic_basis = None ...
suttond/MODOI
ase/cluster/cluster.py
Python
lgpl-3.0
4,164
[ "ASE" ]
ca8c27e8c24c2296035aa73c02b4b99f68bf0af7f1e01782927444abbba45aa9
# Line too long - pylint: disable=C0301 # Copyright (c) Greenplum Inc 2011. All Rights Reserved. from contextlib import closing import os import platform import shutil import sys import tarfile try: from gppylib import gplog from gppylib.commands import gp from gppylib.commands.base import Command, REMOTE...
lpetrov-pivotal/gpdb
gpMgmt/bin/gppylib/operations/package.py
Python
apache-2.0
53,027
[ "ORCA" ]
6e64536d248d25e8db8b17d528a1885c1ad23dd0151853a0f83f8889f0944c41
__author__ = 'chris hamm' #NetworkServer_r9E #Created: 1/17/2015 #THINGS ADDED/CHANGED FROM THIS REVISION #Now able to receive a chunk object from the controller class #Extract information from a chunk object (THESE FUNCTIONS ARE NO LONGER NEEDED) #(In progress)Send extracted information over the network to the client...
COCS4950G7/COSC4950
Source/Network/Obsolete/NetworkServer_r9E.py
Python
gpl-3.0
90,551
[ "ADF" ]
8d6e131289202630223e045070d5867df2ed8ceafa7054fb7012c6fe98f65303
# coding=utf-8 # !/usr/bin/env python import sys try: from setuptools import setup except ImportError: sys.stderr.write('using distutils\n') from distutils.core import setup with open('requirements.txt') as f: required = f.read().splitlines() required = [ req.split('#egg=')[1] if '#' in req else r...
project-capo/amber-python-drivers
setup.py
Python
mit
2,925
[ "Amber" ]
9e92427f76d9d504beccc6b60836c17759792aa08f6cb44fe462b8c212bf3f6c
import tempfile from mayavi import mlab import Image import numpy as np import geoprobe import scipy.ndimage import matplotlib.colors as mcolors import matplotlib.cm as cm import utils def main(): vol, top = load_data() downsample = 3 fig = mlab.figure(bgcolor=(1,1,1)) x, y, z = hor2xyz(top, vol, d...
joferkington/scipy2015-3d_printing
make_base.py
Python
mit
3,380
[ "Mayavi" ]
49aa995f949fb04eddf7a84e8fe8454e40a7296a62b441692cb4a879fc6e75f1
# __ File: ATOM3.py __________________________________________________________________________________________________ # # Implements : class ATOM3 # Author : Juan de Lara and Denis Du...
Balannen/LSMASOMM
atom3/Kernel/ATOM3.py
Python
gpl-3.0
249,434
[ "OpenMM", "VisIt" ]
11bc8b3da76dcfd80ecb3c37bb3bfb9a2dc454f2f5eaaa9a4f8b574da3ed22ba
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module defines classes to represent the density of states, etc. """ import functools import warnings from typing import Dict import numpy as np from monty.json import MSONable from scipy.constants.co...
richardtran415/pymatgen
pymatgen/electronic_structure/dos.py
Python
mit
39,371
[ "DIRAC", "Gaussian", "VASP", "pymatgen" ]
effed105ee490215690fa8e71c387eb6c9fca34eb821876444089f6cda5950f9
"""This contains classes modelling optical elements such as lenses. Each optical element has a focal length and width and implements the method "apply", which enables it to modify an incident wave Authors: Adam Rains """ from __future__ import division, print_function import numpy as np import opticstools as optics_...
mikeireland/astro-optics
optics.py
Python
mit
15,640
[ "Gaussian" ]
714a3e7f1b2d61c308b2ddc6b4261947f3f4eada72798a0fcb202e2e30d73614
# $Id$ # # Copyright (C) 2007-2010 Greg Landrum # All Rights Reserved # from rdkit import Chem class PropertyMol(Chem.Mol): """ allows rdkit molecules to be pickled with their properties saved. >>> import cPickle >>> m = Chem.MolFromMolFile('test_data/benzene.mol') >>> m.GetProp('_Name') 'benzene.mol' ...
rdkit/rdkit-orig
rdkit/Chem/PropertyMol.py
Python
bsd-3-clause
2,973
[ "RDKit" ]
fb0e754af5d720da2a522804601c9ec62100c9edf9a4eacf29596204bbbf67a4
#!/usr/bin/env python """ Install.py tool to do a generic build of a library soft linked to by many of the lib/Install.py files used to automate the steps described in the corresponding lib/README """ from __future__ import print_function import sys, os, subprocess from argparse import ArgumentParser sys.path.append...
Pakketeretet2/lammps
lib/Install.py
Python
gpl-2.0
2,989
[ "LAMMPS" ]
e656cbc92acf1f9f8c72696fe2c9672132bdfc9335f759eb8dfa4339f1b75032
# # Copyright (C) 2007, Mark Lee # #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 required...
okkhoy/mo-rlglue-python-codec
rlglue/agent/Agent.py
Python
mit
1,727
[ "Brian" ]
73d8c1785a771b47ac650af7350e99fb7741e555fb88b4a1aafdfc8505f1be5e
#!/usr/bin/env python3 """ Copyright 2020 Paul Willworth <ioscode@gmail.com> This file is part of Galaxy Harvester. Galaxy Harvester 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 ...
pwillworth/galaxyharvester
html/getResourceGroupList.py
Python
gpl-3.0
3,121
[ "Galaxy" ]
ebcccff6b47a27935b8f9a43edd0f21869effc7dc4c79024d2dd429d6f38629a
"""Guess the MIME type of a file. This module defines two useful functions: guess_type(url, strict=True) -- guess the MIME type and encoding of a URL. guess_extension(type, strict=True) -- guess the extension for a given MIME type. It also contains the following, for tuning the behavior: Data: knownfi...
edmundgentle/schoolscript
SchoolScript/bin/Debug/pythonlib/Lib/mimetypes.py
Python
gpl-2.0
20,950
[ "NetCDF" ]
6143f6ff33c58e059fbee4a1cd03c43f9887551a011ffed109b8db61fa47babd
#!/usr/bin/env python # -*- coding: utf-8 -*- # Copyright 2014-17 Neil Freeman contact@fakeisthenewreal.org # 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 # ...
fitnr/twitter_bot_utils
src/twitter_bot_utils/cli.py
Python
gpl-3.0
8,641
[ "VisIt" ]
1d39b425d8a04465dd9191ea59d872ebcb711d4c3b6cfd73f101fbbd85b83137