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from bs4 import BeautifulSoup import requests import hashlib import shutil import os import re import sys import unshortenit if sys.version_info[0] == 3: from urllib.parse import quote else: from urllib import quote class Download(): item = None repo = None def __init__(self, repo, item): ...
MCProHosting/at-helper
at_helper/download.py
Python
mit
3,492
[ "ADF" ]
427148c4368263a48660dfb2bfc829836f62f69081d3addb7a2d358576dbf1ea
# -*- coding: utf-8 -*- """ A serial module for accessing data from a vehicles OBD-II port For more documentation, visit: http://python-obd.readthedocs.org/en/latest/ """ ######################################################################## # ...
brendan-w/python-OBD
obd/__init__.py
Python
gpl-2.0
2,856
[ "VisIt" ]
dceb5f0c5bcb4520ea0e505cef3a6e05d9323b5ce2de2ca427b779c7457fe161
# This component assembles an analysis recipe for the annual adaptive comfort component # # Honeybee: A Plugin for Environmental Analysis (GPL) started by Mostapha Sadeghipour Roudsari # # This file is part of Honeybee. # # Copyright (c) 2013-2020, Chris Mackey <Chris@MackeyArchitecture.com> # Honeybee is free softw...
mostaphaRoudsari/Honeybee
src/Honeybee_Outdoor Comfort Analysis Recipe.py
Python
gpl-3.0
41,063
[ "EPW" ]
0bf1ab7baa2a09b7629f1db262cc8b432adabe28e1e6a54b7555502d875a1d08
import locale import re import json from StringIO import StringIO from django.template.defaultfilters import slugify from django.contrib.humanize.templatetags.humanize import intcomma from django.core.exceptions import ValidationError from huey.api import Huey from huey.backends.base import BaseEventEmitter from huey.b...
216software/Profiles
communityprofiles/profiles/utils.py
Python
mit
11,855
[ "MOE" ]
1b84d9ff1d6981113e95ba4d8c8af9aadc9c0347f885d257c52cd0be217e2780
#! /usr/bin/env python # coding=utf8 # ECDSA BTC lib # Copyright (C) 2014 Antoine FERRON # Some portions based on : # "python-ecdsa" Copyright (C) 2010 Brian Warner (MIT Licence) # "Simple Python elliptic curves and ECDSA" Copyright (C) 2005 Peter Pearson (public domain) # "Electrum" Copyright (C) 2011 thom...
antonio-fr/SGenAdr
lib/ECDSA_BTC.py
Python
gpl-3.0
12,587
[ "Brian" ]
719a00099d20681838d394138187554a4ed59f4d586add846df1f68fe382e14c
#!/bin/env python """ display information about FTSJobs for a given requestID """ __RCSID__ = "$Id: $" from DIRAC.Core.Base import Script Script.setUsageMessage( '\n'.join( [ __doc__, 'Usage:', ' %s [option|cfgfile] requestID' % Script.scriptNa...
Sbalbp/DIRAC
DataManagementSystem/scripts/dirac-dms-show-ftsjobs.py
Python
gpl-3.0
2,085
[ "DIRAC" ]
45f668519065960b210362eba69ab0adb1b9dad56ef316ad4b3b930a048bf1ed
import sys import os import subprocess import bpy from bpy.types import AddonPreferences from bpy.props import BoolProperty, FloatVectorProperty, EnumProperty, IntProperty, FloatProperty, StringProperty from sverchok.dependencies import sv_dependencies, pip, ensurepip, draw_message, get_icon from sverchok import data_...
DolphinDream/sverchok
settings.py
Python
gpl-3.0
23,850
[ "VisIt" ]
8f31f05e726bf4ea789305e76982a4b26c173520a2d0a2fba65a39b041715254
#! /usr/bin/env python # ECDSA BTC of SimpleBitID # Copyright (C) 2014 Antoine FERRON # Some portions based on : # "python-ecdsa" Copyright (C) 2010 Brian Warner (MIT Licence) # "Simple Python elliptic curves and ECDSA" Copyright (C) 2005 Peter Pearson (public domain) # This program is free software: you can redistr...
antonio-fr/SimpleBitID
ECDSA_BTC.py
Python
gpl-3.0
6,006
[ "Brian" ]
1cd759584b0e0bd1b0112ca65e9fc36269a4804392306c276943f6c528bff5b2
from django.forms.models import formset_factory from django.forms import BaseFormSet from django.contrib import messages from mezzanine.pages.page_processors import processor_for from crispy_forms.layout import Layout, HTML from functools import partial, wraps from hs_core import page_processors from hs_core.forms im...
ResearchSoftwareInstitute/MyHPOM
hs_app_netCDF/page_processors.py
Python
bsd-3-clause
7,300
[ "NetCDF" ]
04302733950b26a0c1cc2da2d7f0133b14d963458a97087bb2280c83a6b971c1
# -*- coding: utf-8 -*- # # 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 "L...
rikima/spark
python/pyspark/ml/tests.py
Python
apache-2.0
118,275
[ "Gaussian" ]
d390263e20f7d7c2634767414d9499aae3c4cc249bd929259d5ebd7870973b67
import os import sys import time import flask_restless import jinja2 from celery import Celery from flask import (Flask, Response, jsonify, redirect, render_template, request, url_for) from flask_cors import CORS from flask_jwt import jwt_required from json_tricks import dumps from raspapreco.model...
IvanBrasilico/raspa-preco
raspapreco/restless.py
Python
gpl-3.0
6,870
[ "RASPA" ]
8c8576e53e23d23c462d083b9e979bb039b3b71a8fb46bed3f32f192c9db0b0d
#!/usr/bin/env python3 # vim: set fileencoding=utf-8 : # # Copyright 2011,2013 Communications Engineering Lab, KIT # # This 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)...
kit-cel/gr-specest
python/fam_matplotlib.py
Python
gpl-3.0
3,914
[ "Gaussian" ]
d09dfe3b9b968372745907b88839932e5ac3d550598d63447bdde5970e59a852
# -*- coding: utf8 """Random Projection transformers Random Projections are a simple and computationally efficient way to reduce the dimensionality of the data by trading a controlled amount of accuracy (as additional variance) for faster processing times and smaller model sizes. The dimensions and distribution of Ra...
florian-f/sklearn
sklearn/random_projection.py
Python
bsd-3-clause
21,689
[ "Gaussian" ]
1859b6dcf4b2c5f687967bb140119cb8f566cf864462add193e972fa0a4aadc0
from pymol import cmd def ligandNeighbors(prot, chain, ligand): print ligand # set some string names for temporary objects/selections tmpObj = cmd.get_unused_name("_tmp") tmpObj2 = cmd.get_unused_name("_bla") # operate on a new object & turn off the original sel = "{} and chain {}".format(prot...
smoitra87/mrfs
data/multicols/ligand.py
Python
apache-2.0
592
[ "PyMOL" ]
aa4a8ad6b72227bd05b8e92ebe0397e04b739864025f6dbf9ad04e35515ed9e6
# -*- coding: utf-8 -*- # Load configuration file before pyplot import os, sys config_path = os.path.abspath('../matplotlib/') sys.path.append(config_path) import configuration as config # Library path import os, sys print("CWD: " + os.getcwd() ) lib_path = os.path.abspath('../../lib') sys.path.append(lib_path) impo...
peter-kiechle/tactile-sensors
python/filtering_temporal_and_derivatives/temporal_filtering_visualization.py
Python
gpl-3.0
26,278
[ "Gaussian" ]
dde52b17cf1515f5bbf66afe9f297e417694668e858907a6645d6a680d238d5e
""" SAS distributions for polydispersity. """ # TODO: include dispersion docs with the disperser models from __future__ import division, print_function from math import sqrt # type: ignore from collections import OrderedDict import numpy as np # type: ignore from scipy.special import gammaln # type: ignore # pyli...
SasView/sasmodels
sasmodels/weights.py
Python
bsd-3-clause
10,247
[ "Gaussian" ]
5130f349527928cbeec3d99a4c8aaa6f0b16c1ede0495abce10a39d16db34487
# test_nachans.py --- # # Filename: test_nachans.py # Description: # Author: # Maintainer: # Created: Sat May 26 10:29:41 2012 (+0530) # Version: # Last-Updated: Wed May 30 21:47:11 2012 (+0530) # By: subha # Update #: 349 # URL: # Keywords: # Compatibility: # # # Commentary: # # Unit tests ...
dilawar/moose-full
moose-examples/traub_2005/py/test_nachans.py
Python
gpl-2.0
11,787
[ "MOOSE", "NEURON" ]
e7abe188927ebd83818e44da84a8f6ba83ae4c508f4de2d0a1219342ae16c86c
# ///////////////////////////////////\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\ # // BioDigital Content API OAuth using Python 3 # // # // Author: BioDigital Inc. # // Email: developers@biodigital.com # // # // This example uses the Flask and requests libraries for Python 3 # // found here: http://flask.pocoo.org/ # // ...
biodigital-inc/bdhuman-contentapi
python/client.py
Python
mit
5,797
[ "VisIt" ]
fd043230ddb5a9e52d768203b4059d69a4dea3eb044e4779c1b8389b9642cc24
''' synbiochem (c) University of Manchester 2016 synbiochem is licensed under the MIT License. To view a copy of this license, visit <http://opensource.org/licenses/MIT/>. @author: neilswainston ''' # pylint: disable=invalid-name import csv import re import sys import tempfile import urllib from Bio.PDB import par...
neilswainston/development-py
synbiochemdev/dali/dali.py
Python
mit
2,517
[ "VisIt" ]
ae6803ed84939dd859b8d487974e268f1bf0e20150216a34abea0ef1a8af5ea4
# from the Python Standard Library import os, re, socket, sys, subprocess # from Twisted from twisted.internet import defer, threads, reactor from twisted.internet.protocol import DatagramProtocol from twisted.python.procutils import which from twisted.python import log try: import resource def increase_rlimi...
heathseals/CouchPotatoServer
libs/pyutil/iputil.py
Python
gpl-3.0
9,752
[ "Brian" ]
3f080118789aa78825d6d7724d968caa139b15bb4ac4ea6c108d5e336a55e3a5
"""Test generation helpers Intended to functionalize common tasks when working with the pytest_generate_tests hook. When running a test, it is quite often the case that multiple parameters need to be passed to a single test. An example of this would be the need to run a Provider Add test against multiple providers. W...
lehinevych/cfme_tests
utils/testgen.py
Python
gpl-2.0
20,153
[ "VisIt" ]
2179008cd54d12a0f1b632a9ba48e103f5b2cc070cbfb7e5c909ef2aa4af0b7c
# Config Wizard By: Blazetamer 2013-2014 # Thanks to Blazetamer, TheHighway, and the rest of the crew at TVADDONS.ag (XBMCHUB.com). import urllib,urllib2,re,xbmcplugin,xbmcgui,xbmc,xbmcaddon,os,sys,downloader,extract,time,shutil import wizardmain as main AddonTitle='Config Wizard'; wizardUrl='http://tribeca.tvaddons.ag...
azumimuo/family-xbmc-addon
plugin.video.hubwizard/default.py
Python
gpl-2.0
9,465
[ "VisIt" ]
8f3300d4bc4cb4a5bed2dc0af149ab05e029d707a71de271a568a29cdc61216c
"""Omega matrix for functionals with Hartree-Fock exchange. """ from math import sqrt import numpy as np from numpy.linalg import inv from ase.units import Hartree import gpaw.mpi as mpi from gpaw.lrtddft.omega_matrix import OmegaMatrix from gpaw.pair_density import PairDensity from gpaw.utilities import pack from ...
robwarm/gpaw-symm
gpaw/lrtddft/apmb.py
Python
gpl-3.0
10,936
[ "ASE", "GPAW" ]
050368446e5b9a0ba1fccea40969c79291cb3509f7ed94785f9607691fc73070
#!/usr/bin/env python import numpy import random import glob import time import colored_traceback.always import argparse import subprocess import sys import os # sys.path.insert(1, './python') # if you move this script, you'll need to change this method of getting the imports partis_dir = os.path.dirname(os.path.realp...
psathyrella/partis
test/mobille-igblast-run.py
Python
gpl-3.0
11,923
[ "scikit-bio" ]
7b283ee47a8f69dd7f7acf3e3bcbb9d48fdbe01656aa6e12383d5b9914292594
from builtins import range # -*- coding: utf-8 -*- from datetime import timedelta import re from qgis._core import QgsSingleBandPseudoColorRenderer from timemanager.utils import time_util from timemanager.layers.timerasterlayer import TimeRasterLayer from timemanager.layers.timelayer import TimeLayer, NotATimeAttri...
anitagraser/TimeManager
raster/cdflayer.py
Python
gpl-2.0
5,778
[ "NetCDF" ]
489c54b3d25b2753a2168f1150fb0b95673e956443d736dca9ec28d4ff8d8637
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2018 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 #...
amjames/psi4
psi4/driver/p4util/procutil.py
Python
lgpl-3.0
16,645
[ "CFOUR", "Psi4" ]
33ee1910f72b617d7c648444cf85fc86d1d00aaa80e6470c39053208095ae181
"""Analyze python import statements.""" from __future__ import (absolute_import, division, print_function) __metaclass__ = type import ast import os import re from .. import types as t from ..io import ( read_binary_file, ) from ..util import ( display, ApplicationError, is_subdir, ) from ..data im...
pmarques/ansible
test/lib/ansible_test/_internal/classification/python.py
Python
gpl-3.0
14,070
[ "VisIt" ]
687e990745b48fd3e866c7f81a7b633bd499ecbe44b40ad5f8dd63662894aaa4
""" Potentials in ultracold atom experiments are typically constructed using Gaussian laser beams, here we provide some definitions that will make it easy to assemble a generic optical dipole potential. """ import numpy as np import matplotlib.pyplot as plt import matplotlib from vec3 import vec3, cross import sc...
PedroMDuarte/thesis-hubbard-lda_evap
udipole.py
Python
mit
18,892
[ "Gaussian" ]
81dec170cfb7ec13ef623eeb45bc76964c9437b5f7937ca34377c0546b3b1ea0
# Copyright 2009 Brian Quinlan. All Rights Reserved. # Licensed to PSF under a Contributor Agreement. __author__ = 'Brian Quinlan (brian@sweetapp.com)' import collections import logging import threading import time FIRST_COMPLETED = 'FIRST_COMPLETED' FIRST_EXCEPTION = 'FIRST_EXCEPTION' ALL_COMPLETED = 'ALL_COMPLETED...
timm/timmnix
pypy3-v5.5.0-linux64/lib-python/3/concurrent/futures/_base.py
Python
mit
19,601
[ "Brian" ]
43f037135aafa8ff6a5153c3a622f1d9e32455f757a1ad5682ab6b0d5666c507
""" tests for the JobDB module """ #pylint: disable=protected-access, missing-docstring import unittest from mock import MagicMock, patch from DIRAC import S_OK MODULE_NAME = "DIRAC.WorkloadManagementSystem.DB.JobDB" class JobDBTest( unittest.TestCase ): def setUp( self ): def mockInit(self ): self.l...
Andrew-McNab-UK/DIRAC
WorkloadManagementSystem/DB/tests/Test_JobDB.py
Python
gpl-3.0
1,000
[ "DIRAC" ]
2599d8e1c94bd54ec3c52caff894917aa33c798371e6bbccc436a529236983b9
"""After analysis with WiFeS, this suite of routines can extract a star optimally and calculate its radial velocity. WARNING - this code is still not properly documented or complete. Any contributions welcome! example lines of code... Executing from the code directory, e.g. with Margaret's output directory: rv_proce...
PyWiFeS/tools
process_stellar.py
Python
mit
40,839
[ "Gaussian" ]
06bf1d84b574ce91d121f4c2f6ccbfea80a77d6ddfaa4ef56e22d255ec0953c4
# # Copyright (c) 2017 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use...
yasharmaster/scancode-toolkit
src/commoncode/paths.py
Python
apache-2.0
9,708
[ "VisIt" ]
350987270c0bd74b8393608ddfc2475f53e72b35abda918f9b6d9febc48bfa3f
# NeHe Tutorial Lesson: 43 - FreeType fonts in OpenGL # # Ported to PyOpenGL 2.0 by Brian Leair 18 Jan 2004 # # This code was created by Jeff Molofee 2000 # # The port was based on the PyOpenGL tutorials and from # PyOpenGLContext (tests/glprint.py) # # If you've found this code useful, feel free to let me know # at ...
mgood7123/UPM
Sources/PyOpenGL-Demo-3.0.1b1/PyOpenGL-Demo/NeHe/lesson43/lesson43.py
Python
gpl-3.0
6,133
[ "Brian" ]
7d8d96b0b87723da72bb0e89b27bc44d57dfb6148608d810795f6b888f7baeed
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides objects for extracting timing data from the ABINIT output files It also provides tools to analye and to visualize the parallel efficiency. """ import collections import logging import os import sys im...
vorwerkc/pymatgen
pymatgen/io/abinit/abitimer.py
Python
mit
31,345
[ "ABINIT", "pymatgen" ]
53311b893ab3614848ac91bba8936ab304ebfb3ea4c527753acc2e01d379c939
# -*- coding: utf-8 -*- SKIP_PROTOCOLS = ("javascript", "ftp", ) class edentest_smoke(object): """ Smoke Test, visit every link it can find and report on the outcome """ def __init__(self, base_url, do_not_follow, ext_links): self.base_url = base_url self.d...
flavour/eden
tests/implementation/testsuites/smoke_tests/edentest_smoke.py
Python
mit
1,520
[ "VisIt" ]
12c70ba9738c54ab7ab2ea44351e131a66d92b2cbca4815ac4c8481ea14ea785
import datetime import os import json import ctypes # An included library with Python install. import re import psycopg2 as dbapi2 from flask import Flask from flask import redirect from flask import request from flask import render_template from flask import jsonify from flask.helpers import url_for from initializ...
itucsdb1612/itucsdb1612
server.py
Python
gpl-3.0
60,554
[ "VisIt" ]
b650ebb422014bfb41b05aa79b71fbe317ab13cbaafb8ac6fc9bd8cdcd877082
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007-2008 Brian G. Matherly # Copyright (C) 2008 Gary Burton # Copyright (C) 2008 Robert Cheramy <robert@cheramy.net> # Copyright (C) 2011 Tim G L Lyons # # This program is free software; you can redistribute it and/or...
ennoborg/gramps
gramps/gen/proxy/filter.py
Python
gpl-2.0
21,094
[ "Brian" ]
1a37908ae30d2aca87362ffe46ae71a959066c6d55b907ee3d0f75d1c37cb9e3
# # GFSK modulation and demodulation. # # # Copyright 2005-2007,2012 Free Software Foundation, Inc. # # This file is part of GNU Radio # # GNU Radio is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either v...
courtarro/gnuradio
gr-digital/python/digital/gfsk.py
Python
gpl-3.0
11,172
[ "Gaussian" ]
50f340652b42b048da3dc7e566e7d75527fc2bf9196916c0316004d4a6a65d86
import numpy as np from mpl_toolkits.basemap import pyproj from datetime import datetime try: import netCDF4 as netCDF except: import netCDF3 as netCDF import pyroms class BGrid_GFDL(object): """ Arakawa B-Grid for GFDL CM2.1 """ def __init__(self, lon_t, lat_t, lon_uv, lat_uv, \ ...
dcherian/pyroms
pyroms_toolbox/pyroms_toolbox/BGrid_GFDL/BGrid_GFDL.py
Python
bsd-3-clause
1,958
[ "NetCDF" ]
cc0b307f12e5d9a402d8fbd11d8fdd25c79164fd60e8967d2bbda5e22a30ce92
# -*- coding: utf-8 -*- # # Snowbird documentation build configuration file, created by # sphinx-quickstart on Mon Oct 4 21:45:04 2010. # # This file is execfile()d with the current directory set to its containing dir. # # Note that not all possible configuration values are present in this # autogenerated file. # # Al...
unbracketed/snowbird
docs/conf.py
Python
mit
7,162
[ "Brian" ]
83d904e6a82e334f05b058405677f620b7d53bbadf2e588522f8c814e7e6d931
# encoding: utf-8 # # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2006 Martin Hawlisch, Donald N. Allingham # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 Jakim Friant # Copyright (C) 2011 Tim G L Lyons # # This program is free software; you can redistribute it a...
arunkgupta/gramps
gramps/plugins/tool/testcasegenerator.py
Python
gpl-2.0
82,564
[ "Brian" ]
2132fa7a729edb0af3d4bbcfce046db6c668390e5f53b5f021ec1bf0bfd56a88
from __future__ import print_function, division, unicode_literals import os import twod_materials.utils as utl from pymatgen.matproj.rest import MPRester from pymatgen.core.structure import Structure from pymatgen.core.periodic_table import Element from pymatgen.io.vasp.inputs import Kpoints, Incar from monty.seria...
ashtonmv/twod_materials
twod_materials/stability/startup.py
Python
gpl-3.0
3,859
[ "VASP", "pymatgen" ]
259d6dafb59c345cc7f89f3d81373f7ef1e70f5a7a1eae60321a89fa457454c4
import datetime import hashlib import itertools import logging import os import time from collections import defaultdict from dataclasses import asdict, dataclass, field from operator import itemgetter from typing import ( AbstractSet, Any, Callable, Collection, Dict, Iterable, List, Map...
punchagan/zulip
zerver/lib/actions.py
Python
apache-2.0
288,277
[ "Octopus" ]
dbc8dcc2e6c44007016fe18121d34f5a537ab448f48ef79c2d1c5bff6645078d
# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class Yambo(AutotoolsPackage): """Yambo is a FORTRAN/C code for Many-Body calculations in solid ...
LLNL/spack
var/spack/repos/builtin/packages/yambo/package.py
Python
lgpl-2.1
5,358
[ "ABINIT", "NetCDF", "Yambo" ]
eff4fe06110c00d2e3fbc863727092f3e8f8c56bcdcc5764ab96134e8b041376
#!/usr/bin/env python """ Artificial Intelligence for Humans Volume 2: Nature-Inspired Algorithms Python Version http://www.aifh.org http://www.jeffheaton.com Code repository: https://github.com/jeffheaton/aifh Copyright 2014 by Jeff Heaton Licensed under the Apache License, Versi...
PeterLauris/aifh
vol2/vol2-python-examples/examples/capstone_alife/alife_milestone2.py
Python
apache-2.0
11,519
[ "VisIt" ]
2155ee2e18b5801bf277d4b457280c791e921b47547bfdf45551c9f161c6ea37
from ase.cluster import Icosahedron from ase.ga.particle_crossovers import CutSpliceCrossover from random import shuffle ico1 = Icosahedron('Cu', 5) ico1.info['confid'] = 1 ico2 = Icosahedron('Ni', 5) ico2.info['confid'] = 2 op = CutSpliceCrossover({(28, 29): 2.0, (28, 28): 2.0, (29, 29): 2.0}, ...
askhl/ase
ase/test/ga/particle_operators.py
Python
gpl-2.0
1,435
[ "ASE" ]
a2b98b1e2dfaf2182066384743ad6eb115f35a4af438250a4ceba90f0e4aed7b
# # @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 #...
jturney/psi4
psi4/driver/diatomic.py
Python
lgpl-3.0
11,347
[ "Psi4" ]
f1b7837ab691eadd6749e720ea529bf80a6786b8b983efb6b516335691eae227
import time import datetime from django.db import models from django.conf import settings import django.contrib.localflavor.us.models as us from django.core.files.uploadedfile import SimpleUploadedFile from django.core.urlresolvers import reverse from face_client import face_client from sorl.thumbnail import get_thum...
pizzapanther/Church-Source
churchsource/people/models.py
Python
gpl-3.0
10,654
[ "VisIt" ]
1950cfb235ebcda56bbe129706770feef38263ee57be2a924c479721dbd37f29
# # Copyright 2001 - 2006 Ludek Smid [http://www.ospace.net/] # # This file is part of IGE - Outer Space. # # IGE - Outer Space 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 t...
mozts2005/OuterSpace
client-pygame/lib/osci/messages.py
Python
gpl-2.0
11,738
[ "Galaxy" ]
7a12b6f31b4edf8232ade72952975e8f6a9a6f40ea8b9aaf9b62a52b50f5215d
# -*- coding: utf-8 -*- ''' Exodus Add-on Copyright (C) 2016 lambda 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 l...
KodiColdkeys/coldkeys-addons
repository/plugin.video.white.devil/resources/lib/sources/torba_mv.py
Python
gpl-2.0
6,332
[ "VisIt" ]
c9672a2430894ea29c22db2e73fde828dd500f587c806d067607d0143dbb8ac3
# # Copyright (C) 2011, 2012 Pablo Barenbaum <foones@gmail.com> # # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # Th...
mateoqac/unqTip
language/vgbs/lang/gbs_lint.py
Python
gpl-3.0
24,397
[ "VisIt" ]
60526756d8781475dbef457840eb37178c68fcc4c70aaa0a7db5d022c9cc607f
#-*- coding:utf-8 -*- """ This file is part of openexp. openexp 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. openexp is distributed in ...
SCgeeker/OpenSesame
libopensesame/sketchpad_elements/_noise.py
Python
gpl-3.0
1,619
[ "Gaussian" ]
6f73da1090fbb856d7555630fbdc182fa7899c3a81c55f14967b9671443b182a
# -*- coding: utf-8 -*- """ coq_install_buckeye.py is part of Coquery. Copyright (c) 2016–2021 Gero Kunter (gero.kunter@coquery.org) Coquery is released under the terms of the GNU General Public License (v3). For details, see the file LICENSE that you should have received along with Coquery. If not, see <http://www....
gkunter/coquery
coquery/installer/coq_install_buckeye.py
Python
gpl-3.0
29,028
[ "COLUMBUS" ]
07d8cedb0b59f90c4c8225d89e68c8f748deb0a2d830c89b0be9fe2e36c1dcf4
"""Contains PyVista mappings from vtkmodules.vtkCommonDataModel.""" from typing import Sequence from pyvista import _vtk def perlin_noise(amplitude, freq: Sequence[float], phase: Sequence[float]): """Return the implicit function that implements Perlin noise. Uses ``vtk.vtkPerlinNoise`` and computes a Perlin...
akaszynski/vtkInterface
pyvista/core/common_data.py
Python
mit
2,075
[ "VTK" ]
8b1b2dbd30743480054887d0b8f2a3e01db525f01fd47a274c31f8aadc6ab6dc
from __future__ import print_function import sys print("\nexecuting test file", __file__, file=sys.stderr) exec(compile(open('set_paths.py', "rb").read(), 'set_paths.py', 'exec')) import fastfilters as ff import numpy as np import vigra def test_vigra_compare3d(): a = np.random.randn(1000000).reshape(100,100,100)...
svenpeter42/fastfilters
tests/test_vigra_compare3d.py
Python
mit
2,974
[ "Gaussian" ]
e98a3eff911640c022fb38845ddb067af53073db6808035438ce8ef4ea146d74
from _plotly_utils.importers import relative_import import sys if sys.version_info < (3, 7): from ._orca import to_image, write_image from . import orca from ._json import to_json, from_json, read_json, write_json from ._templates import templates, to_templated from ._html import to_html, write_htm...
plotly/python-api
packages/python/plotly/plotly/io/__init__.py
Python
mit
1,401
[ "ORCA" ]
8d46189087fb03e1dc8778b78e15cdd94e065d49047bad27896f24bec0dd0221
import json import os import unittest import numpy as np import tensorflow as tf from pymatgen.core import Molecule from megnet.data.graph import DummyConverter from megnet.data.molecule import (MolecularGraph, MolecularGraphBatchGenerator, SimpleMolGraph, mol_from_smiles, pybel, ...
materialsvirtuallab/megnet
megnet/data/tests/test_molecule.py
Python
bsd-3-clause
10,890
[ "Pybel", "pymatgen" ]
5ee3f28606a971c43f567305a2254cea65b4641d5714d27f16de78587d3bfb3e
# -*- coding: utf-8 -*- from __future__ import absolute_import import datetime from django.conf import settings from django.contrib.contenttypes.models import ContentType from django.contrib.sites.models import Site from django.http import HttpResponse from django.test import TestCase from django.utils.timezone import ...
jphilipsen05/zulip
zerver/tests/test_signup.py
Python
apache-2.0
80,514
[ "VisIt" ]
4faf56c1919d86d9094be1e065913fdddeb131df6fabd587c3b2a2f4115829a4
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2013 Stanford University and the Authors # # Authors: Robert McGibbon # Contributors: # # MDTraj is free software: y...
mdtraj/mdtraj
mdtraj/formats/hdf5.py
Python
lgpl-2.1
40,764
[ "MDTraj", "OpenMM" ]
4938e8b913c334211899b055716fb1b63073b7307af90eea4fd7eaa63d983d14
from .base import * class command(object): """ cytoscape command as shown in CyREST's swagger documentation for 'Command'. :param url: an url of the type 'http://' + host + ':' + str(port) + '/' + version + '/'. """ def __init__(self, url): self.__url = url + 'commands/command' def e...
idekerlab/py2cytoscape
py2cytoscape/cyrest/command.py
Python
mit
3,120
[ "Cytoscape" ]
cb007570fe2fd12a7fabeb0f9779c67b32da3598771f6061289305bd06c1d6d5
""" Utility functions of matrix and vector transformations. NOTE: convention for quaternions is (x, y, z, w) """ import math import numpy as np from robosuite.utils.numba import jit_decorator PI = np.pi EPS = np.finfo(float).eps * 4.0 # axis sequences for Euler angles _NEXT_AXIS = [1, 2, 0, 1] # map axes strings...
ARISE-Initiative/robosuite
robosuite/utils/transform_utils.py
Python
mit
26,577
[ "Gaussian" ]
f2580092ef324104d3757a5c4b9ddec7d69601a86e1f7725a167ea36aa76fc7b
""" Tests absolute box size with ignored selection """ import os import pytest dir = os.path.dirname(__file__) + "/" #============================================================================== @pytest.mark.skip(reason="Missing input file") def test_absolute_box(tmpdir): """ Tests the absolute box size for...
Eigenstate/dabble
dabble/test/dor_abssel/test_dor_absolute_sel.py
Python
gpl-2.0
1,915
[ "VMD" ]
faa7b95066a0e5ae07b798fc03c4f2c78e70be79fc0ea885fe8e62d790f93f41
############################################################################## # 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/hic-pro/package.py
Python
lgpl-2.1
3,450
[ "pysam" ]
e8a7b0292ad526101bf1ed142e1a668712a17e0dc9717eaae629434e6e06a47c
#: c11:FlowerVisitors.py # Demonstration of "visitor" pattern. from __future__ import generators import random # The Flower hierarchy cannot be changed: class Flower(object): def accept(self, visitor): visitor.visit(self) def pollinate(self, pollinator): print self, "pollinated by", pollinator def eat(...
tapomayukh/projects_in_python
sandbox_tapo/src/refs/TIPython/code/c11/FlowerVisitors.py
Python
mit
2,257
[ "VisIt" ]
7c16b8fb0fc4f627a11d4302a1042f80bdf2aefba925e5415d094c3caa369a43
#!/usr/bin/env python """Run signal-to-reference alignments """ from __future__ import print_function from signalAlignLib import * from variantCallingLib import scan_for_proposals, update_reference_with_marginal_probs from serviceCourse.file_handlers import FolderHandler from argparse import ArgumentParser from random ...
ArtRand/signalAlign
scripts/jamison.py
Python
mit
8,325
[ "BWA" ]
dc10a4d1506db581cda5b128892a524d4df2a6e05d9ee9d7f72b6fc100805d51
import numpy as np from astropy.coordinates import Angle, Distance from astropy import units as u from .angles2Plane import gal_theta def vdm_2001_dep_dist_kpc(rho, phi, glx_theta, glx_incl, D_0): """ Deprojected angular distance from vdM & Cioni (2001). D is the distance associated to a point defined ...
Gabriel-p/mcs_rot_angles
modules/i_PA_DeprjDist.py
Python
gpl-3.0
4,382
[ "Galaxy" ]
bfbf9f34396a66215d334f54c9f40b9cca292f3525e39fb29149859b4158343c
#!/usr/bin/env python # Run this test like so: # vtkpython TestLinePlot.py -D $VTK_DATA_ROOT \ # -B $VTK_DATA_ROOT/Baseline/Charts/ import os import vtk import vtk.test.Testing import math class TestLinePlot(vtk.test.Testing.vtkTest): def testLinePlot(self): "Test if line plots can be built with python"...
Wuteyan/VTK
Charts/Testing/Python/TestLinePlot.py
Python
bsd-3-clause
2,165
[ "VTK" ]
c9bc8b33c4bde848aa7ecb87d7eddf2fe4898cb1afa426a85f08230a4945eaea
# -*- coding: utf-8 -*- # Generated by Django 1.9 on 2016-05-04 14:45 from __future__ import unicode_literals from django.db import migrations, models import django.db.models.deletion import django_hstore.fields import picklefield.fields class Migration(migrations.Migration): dependencies = [ ('cbh_chem...
thesgc/cbh_chembl_model_extension
cbh_chembl_model_extension/migrations/0035_auto_20160504_0945.py
Python
mit
7,369
[ "Pybel" ]
be265ca9bd692bd7123c290bb03612f2e5b3ab45d704e94bb2910315e262f312
""" sphinx.application ~~~~~~~~~~~~~~~~~~ Sphinx application class and extensibility interface. Gracefully adapted from the TextPress system by Armin. :copyright: Copyright 2007-2019 by the Sphinx team, see AUTHORS. :license: BSD, see LICENSE for details. """ import os import pickle import s...
lmregus/Portfolio
python/design_patterns/env/lib/python3.7/site-packages/sphinx/application.py
Python
mit
50,133
[ "VisIt" ]
c00ac349a3c461cdf08ce95acaa1f56559a576f4337a0c0a3703e523dab86148
""" The calculate module contains a routine for calculating the property surface of a system. """ import itertools from collections import OrderedDict from collections.abc import Mapping import numpy as np from numpy import broadcast_to import pycalphad.variables as v from pycalphad import ConditionError from pycalpha...
tkphd/pycalphad
pycalphad/core/calculate.py
Python
mit
21,066
[ "pycalphad" ]
a385a1f53d2f42398f8b81ae37d158651ddcfeb5c92bea17f474e347d775943f
# Copyright 2017 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, ...
google/decoupled_gaussian_process
decoupled_gaussian_process_example.py
Python
apache-2.0
12,353
[ "Gaussian" ]
fa5d73c0e4dbcb38ea37755bd10428d1ca5e6b41d1ef0ba33413d1537d28dc15
from selenium import webdriver from selenium.webdriver.common.keys import Keys from selenium.webdriver.support.ui import Select from selenium.webdriver.common.by import By from selenium.webdriver.support.ui import WebDriverWait from selenium.webdriver.support import expected_conditions as EC from selenium.webdriver.rem...
ansab/Big-Data-Project
Acquisition/Weather/WaterScrapper.py
Python
mit
6,422
[ "VisIt" ]
6bc13ffc99b3e9eeafb5464c036dc0ffc75a6f867ef0691df8f3aa3814c48c79
try: paraview.simple except: from paraview.simple import * XDMF_temporalFields_xmf = GetActiveSource() ProgrammableFilter1 = ProgrammableFilter() ProgrammableFilter1.RequestUpdateExtentScript = '' ProgrammableFilter1.PythonPath = '' ProgrammableFilter1.RequestInformationScript = '' ProgrammableFilter1.Scrip...
OlympusMonds/lithospheric_modelling_recipe
scripts/paraview_macros/classify_regime_3D.py
Python
gpl-3.0
1,468
[ "ParaView" ]
22887a7c3c2a418e479c989cdd8db113a5f3285681b3f2c7cb46faab8aa1df1f
""" Tools for the instructor dashboard """ import dateutil import json from django.conf import settings from django.contrib.auth.models import User from django.http import HttpResponseBadRequest from django.utils.timezone import utc from django.utils.translation import ugettext as _ from courseware.models import Stud...
Semi-global/edx-platform
lms/djangoapps/instructor/views/tools.py
Python
agpl-3.0
8,635
[ "VisIt" ]
d757aff9041838ac73d206a3b9910d74152958f995d5c1f7fe4dfb45f9f0afc1
#!/usr/bin/env python """ Uses pysam to bgzip a vcf file as-is. Headers, which are important, are kept. Original ordering, which may be specifically needed by tools or external display applications, is also maintained. usage: %prog in_file out_file """ import optparse from pysam import ctabix def main(): # Re...
icaoberg/cellorganizer-galaxy-tools
datatypes/converters/vcf_to_vcf_bgzip.py
Python
gpl-3.0
559
[ "pysam" ]
71ba56b8dc09aa64a59348de8be5951ed94c4b3844287e005e029414fb7467b5
from __future__ import division from __future__ import print_function import ninemlcatalog from nineml.abstraction import Parameter, TimeDerivative, StateVariable import nineml.units as un from pype9.simulate.nest import CellMetaClass from pype9.simulate.common.cells.with_synapses import WithSynapses from pype9.excepti...
tclose/PyPe9
test/unittests/test_build.py
Python
mit
1,069
[ "NEURON" ]
d82fa3486d86d2ab153fb20498cdfe49614c4b14962c160bf625f08114d6f8b3
from pytest_bdd import scenario, given, when, then from pytest_bdd import parsers from urllib.parse import urljoin import pytest import sys # pytestmark means it this mark will apply to all tests in the module pytestmark = pytest.mark.skipif(sys.platform in ('win32', 'cygwin', 'darwin'), ...
pfctdayelise/allseasons
tests/bdd/steps/test_calculate_season.py
Python
bsd-3-clause
2,619
[ "VisIt" ]
44bb375287e8124bc087d67d7cc4c06dac9a46d73888d7160c2c4fe41f62ffe0
########################################################################## # # Copyright 2008-2010 VMware, Inc. # All Rights Reserved. # # 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 withou...
PeterLValve/apitrace
wrappers/trace.py
Python
mit
32,944
[ "VisIt" ]
0dbf624fc0cd5795e81a09c9039c453b9d3d60b7be9b73f30968f700a715f5a2
# -*- coding: utf-8 -*- """ Created on Tue Aug 30 08:57:31 2016 @author: nicholas """ import sys import logging import shutil # import subprocess import os import unittest # import multiprocessing from Bio import SeqIO from Bio.SeqRecord import SeqRecord from argparse import Namespace from unittest.mock import MagicM...
nickp60/riboSeed
tests/test_riboSwap.py
Python
mit
5,786
[ "BWA" ]
2bc82eb97d4a4648ec58682bc190a26947d6d27df44e2a8303309ffee79b2d13
from Firefly import logging from Firefly.components.hue.hue_device import HueDevice from Firefly.components.virtual_devices import AUTHOR from Firefly.const import (ACTION_LEVEL, ACTION_OFF, ACTION_ON, ACTION_TOGGLE, DEVICE_TYPE_SWITCH, EVENT_ACTION_OFF, LEVEL, STATE, SWITCH) TITLE = 'Firefly Hue Group' DEVICE_TYPE = ...
Firefly-Automation/Firefly
Firefly/components/hue/hue_group.py
Python
apache-2.0
1,182
[ "Firefly" ]
39267e2cd2e7c960753249c11ef4770e830c59a392729a332d9281d06738f612
''' @brief utility functions can be used for model gen (mostly just some analytical geometry) @author: Henry Zhou, April 1st, 2018 ''' import pdb import numpy as np import math import random def gaussian_noise(mu, std, discrete, step_size=None,): ''' ''' if discrete and (st...
WilsonWangTHU/neural_graph_evolution
util/model_gen_util.py
Python
mit
5,393
[ "Gaussian" ]
252b0af9ae77ba3acc267180b8f674488c590a00a263aaf5ecdc7ca52d4bf156
from __future__ import division import numpy as np from scipy.ndimage import gaussian_filter, gaussian_laplace import math from math import sqrt, log from scipy import spatial from skimage.util import img_as_float from skimage.feature.peak import peak_local_max # code from # https://github.com/emmanuelle/scikit-image...
xiedidan/luna-data-pre-processing
blobs_detection.py
Python
gpl-3.0
14,955
[ "Gaussian" ]
f898d603dc3bea8715209c8b0e91b46ae98758c7cf0fefbf3eb7de7f9f4afc6f
#!/usr/bin/env python3 """ Reads files from an EggNOG release and stores them as an indexed SQLite3 file for rapid lookups by protein ID. The use case for development here is our functional annotation pipeline. INPUT COG.members.txt --------------- COG1110 579137.Metvu_1264 1 865 COG1110 573064.Mefer_00...
zctea/biocode
blast/eggnog_to_sqlite3.py
Python
gpl-3.0
5,890
[ "BLAST" ]
f5af06752a62bc73cdeac1f74b3d8f46d31c195135832f0a9b9308a34f6a63c3
# -*- coding: utf-8 -*- #------------------------------------------------------------ # streamondemand - XBMC Plugin # Conector para longurl (acortador de url) # http://www.mimediacenter.info/foro/viewforum.php?f=36 #------------------------------------------------------------ import urlparse from lib import unshort...
costadorione/purestream
servers/expurl.py
Python
gpl-3.0
725
[ "ADF" ]
a567f9d799c0fae518be64525873d8c95d16447e5c3340cd700f4f76868f4603
# Authors: John Dennis <jdennis@redhat.com> # # Copyright (C) 2011 Red Hat # see file 'COPYING' for use and warranty information # # 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...
msimacek/freeipa
ipapython/log_manager.py
Python
gpl-3.0
62,629
[ "VisIt" ]
720bd475fa9965ccc4d8b7b22068811a6a10594d4072d427ff98bb07bd1cbc00
from __future__ import print_function, division import os,unittest,numpy as np from pyscf.nao.m_fermi_dirac import fermi_dirac_occupations from pyscf.nao.m_fermi_energy import fermi_energy as get_fermi_energy class KnowValues(unittest.TestCase): def test_fermi_energy_spin_saturated(self): """ This is to test ...
gkc1000/pyscf
pyscf/nao/test/test_0018_fermi_energy.py
Python
apache-2.0
3,980
[ "PySCF" ]
793611596673cf758b6a0a606437db7627b7b2c37b79472e5fedc07358f1aadb
import numpy as np import matplotlib.pyplot as plt import sys # Add the PyRsw tools to the path # At the moment it is given explicitely. # In the future, it could also be added to the # pythonpath environment variable sys.path.append('../src') import Steppers as Step import Fluxes as Flux from PyRsw import Simulation...
PyRsw/PyRsw
testing/test_does_2d_run/test_walls_periodic.py
Python
mit
1,488
[ "Gaussian" ]
001260f035fcb97dde2d25fc03704be17d16b80150bba2ea32428d9a9fe7cf46
import GSI requiredGSIVersion = "0.6.3" if GSI.version.__version__ < requiredGSIVersion: raise Exception("pyGSI is not the latest version (installed %s required %s)" % (GSI.version.__version__, requiredGSIVersion)) GSI.SSL.set_thread_safe() nid = GSI.crypto.create_oid("1.2.42.42", "diracGroup", "...
fstagni/DIRAC
Core/Security/pygsi/__init__.py
Python
gpl-3.0
810
[ "DIRAC" ]
750a478d638264152bab73ef5154ad9b62fb68645b81372fc44e04f0a217b338
#!/usr/bin/env python3 # # Copyright (c) 2017-2019 Aaron LI # MIT License # # Create image from OSKAR simulated visibility data using `WSClean`. # WSClean: https://sourceforge.net/p/wsclean/ # # 2017-09-01 # import os import sys import re import argparse import subprocess import time import tempfile WSCLEAN_BIN = o...
liweitianux/atoolbox
astro/oskar/wsclean.py
Python
mit
10,662
[ "Gaussian" ]
75a3116ae46730cf563af7d5a0e4a624f7be727237236972104ce1ca093c7077
from __future__ import absolute_import, print_function from pony.py23compat import izip import imp import os import marshal import struct import sys from . import ast, parse, walk, syntax from . import pyassem, misc, future, symbols from .consts import SC_LOCAL, SC_GLOBAL_IMPLICIT, SC_GLOBAL_EXPLICIT, \ SC_FREE,...
gwecho/pony
pony/thirdparty/compiler/pycodegen.py
Python
agpl-3.0
47,787
[ "VisIt" ]
223b6932cb0d8555c3e5ee1059f8850c93280fdb12438cfc858f81461076fbfe
#!/usr/bin/env python from __future__ import (absolute_import, division, print_function, unicode_literals) import sys import os import re import argparse import subprocess import csv import shutil from Bio import SeqIO from natsort import natsorted import amptk.amptklib as lib class MyFormatt...
nextgenusfs/amptk
amptk/assign_taxonomy.py
Python
bsd-2-clause
30,295
[ "BLAST" ]
c2cdb2aad402e2091d0787c7933788c3fdf66f455d58f6936cc69495fd194e0c
#! /usr/bin/env python from hermes2d import Mesh, MeshView, H1Shapeset, PrecalcShapeset, H1Space, \ WeakForm, Solution, ScalarView, LinSystem, DummySolver from hermes2d.forms import set_forms from hermes2d.examples import get_example_mesh mesh = Mesh() mesh.load(get_example_mesh()) mesh.refine_element(0) shap...
davidquantum/hermes2dold
python/examples/03.py
Python
gpl-2.0
1,045
[ "Mayavi" ]
dd8f11f81e5f1612d15a13e386104d6c153b7f28b260b3614dca728a4c62cd0d
############################################################################## # adaptiveMD: A Python Framework to Run Adaptive Molecular Dynamics (MD) # Simulations on HPC Resources # Copyright 2017 FU Berlin and the Authors # # Authors: Jan-Hendrik Prinz # Contributors: # # `adaptiveMD` is free software: ...
markovmodel/adaptivemd
adaptivemd/mongodb/proxy.py
Python
lgpl-2.1
5,024
[ "MDTraj" ]
64000974b4bc7877eaf3254068a08129ffa35146a084aae33198266bdc85101d
# -*- coding: utf-8 -*- ######################################################################### # # Copyright (C) 2012 OpenPlans # # 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 versio...
pcecconi/mapground
layers/enumerations.py
Python
mit
14,226
[ "BWA" ]
caa436b31a4cba63aa83c1806acf003bfc4950abe55e95417f78b58d07f31b05
from kernel_hmc.densities.gaussian import sample_gaussian import numpy as np def leapfrog(q, dlogq, p, dlogp, step_size=0.3, num_steps=1): # for storing trajectory Ps = np.zeros((num_steps + 1, len(p))) Qs = np.zeros(Ps.shape) # create copy of state p = np.array(p.copy()) q = np.array(q.c...
karlnapf/kernel_hmc
kernel_hmc/hamiltonian/leapfrog.py
Python
bsd-3-clause
2,833
[ "Gaussian" ]
782f9f48cd8e1952808d5a1f83318676f2f0975c2e0f73fa6c448a75d9c200c6
''' Created on 29.04.2017 @author: Mr. Jones ''' from jimplify.visitors.replacementvisitor import ReplacementVisitor def check_node_type(node,varName): return type(node).__name__ == varName class FoldingVisitor(): def __init__(self): self.optimization = 0 self.replaceme...
mrj0n3s/jimplify
Jimplify/jimplify/visitors/foldingvisitor.py
Python
mit
3,056
[ "VisIt" ]
3c1d4bbb4ac5b07795179f53e1670b0e7b7013c9a2f753814193397d90f7575a
#!/usr/bin/python import os, sys, math, random, getopt import filecmp """ ConfBuster-Rotamer-Search.py Copyright (C) 2017 Xavier Barbeau, Antony T. Vincent and Patrick Lague This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as p...
patricklague/ConfBuster
ConfBuster-Rotamer-Search.py
Python
gpl-3.0
7,964
[ "PyMOL" ]
daed21a4763484cce1dc2fc7d5ca93b59cca1e9920966b87a658f75cfa6c333a
# -*- coding: utf-8 -*- # YAFF is yet another force-field code. # Copyright (C) 2011 Toon Verstraelen <Toon.Verstraelen@UGent.be>, # Louis Vanduyfhuys <Louis.Vanduyfhuys@UGent.be>, Center for Molecular Modeling # (CMM), Ghent University, Ghent, Belgium; all rights reserved unless otherwise # stated. # # This file is pa...
molmod/yaff
yaff/examples/007_monte_carlo/co2_in_mil53/gcmc.py
Python
gpl-3.0
3,170
[ "Avogadro" ]
3de93c92674162df14ff271638bb818e2a791caf1c1958b33f3214a8ec39ea47
import os import deepchem as dc import numpy as np def load_gaussian_cdf_data(): """Load example with numbers sampled from Gaussian normal distribution. Each feature and task is a column of values that is sampled from a normal distribution of mean 0, stdev 1.""" current_dir = os.path.dirname(os.path.abs...
lilleswing/deepchem
deepchem/trans/tests/test_power.py
Python
mit
3,354
[ "Gaussian" ]
34e7d7b787a98c716021f5394009001c5e55a9afb5cbd6b160939519171ed5bd
# -*- coding: utf-8 -*- from __future__ import unicode_literals import os import shutil import tempfile import zipfile from django.test import TransactionTestCase from django.test.utils import override_settings from ..models import Artist, Album, Song, CustomStorage from .. import update from ..utils import ( d...
rafikdraoui/vortex
library/tests/test_utils.py
Python
mit
6,268
[ "Brian" ]
18604862f80dc1138493c68a204830c8be87eed50da416beb000299347e3e1e2