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# python retrieve_test.py $subdir/MACS2243-09/W-C-RC/SCIENCE/coadd_MACS2243-09/coadd.fits $subdir/MACS2243-09/PHOTOMETRY/panstarrs.cat # python retrieve_test.py $subdir/MACS0911+17/W-C-RC/SCIENCE/coadd_MACS0911+17/coadd.fits $subdir/MACS0911+17/PHOTOMETRY/panstarrsstar.cat from math import * import os, sys, anydbm, ti...
deapplegate/wtgpipeline
retrieve_test_PANSTARRS.py
Python
mit
14,889
[ "Galaxy" ]
7cb11dd5af04f940fec590ae6c54d756d1b0e046009b6352e87ade6a739bc481
# -*- coding: utf-8 -*- import os # MouseClick.py - To demonstrate Tkinter key clicks import Tkinter from kdtree import * class KDTreeApp: def __init__(self): """App for creating KD tree dynamically""" self.tree = KDTree() self.master = Tkinter.Tk() self.w = Tkinter.Frame(sel...
NicovincX2/Python-3.5
Algorithmique/Structure de données/Arbre (structure de données)/Arbre kd/app.py
Python
gpl-3.0
2,428
[ "VisIt" ]
18bf3eec6bc03614e4d23887a11cd696f2b072b7997aef8a042d3370effa4b5e
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
wscullin/spack
var/spack/repos/builtin/packages/r-a4/package.py
Python
lgpl-2.1
1,842
[ "Bioconductor" ]
8a0fff2e1cb70d9972f374e90cb9186bf4d7872a3e98593af864850847e1346d
# mako/codegen.py # Copyright (C) 2006-2013 the Mako authors and contributors <see AUTHORS file> # # This module is part of Mako and is released under # the MIT License: http://www.opensource.org/licenses/mit-license.php """provides functionality for rendering a parsetree constructing into module source code.""" impo...
akuchling/book-diary-tools
books.d/mako/codegen.py
Python
bsd-3-clause
49,252
[ "VisIt" ]
8993bb8dff66669a69e8f643599e7b3cb22b113bd1de0052b28a33b565f185fb
# sql/compiler.py # Copyright (C) 2005-2015 the SQLAlchemy authors and contributors # <see AUTHORS file> # # This module is part of SQLAlchemy and is released under # the MIT License: http://www.opensource.org/licenses/mit-license.php """Base SQL and DDL compiler implementations. Classes provided include: :class:`.c...
ppmt/Crust
flask/lib/python2.7/site-packages/sqlalchemy/sql/compiler.py
Python
gpl-2.0
99,638
[ "VisIt" ]
27486f76c83eac46e518b3d99ebd9a57e8441a6855f34e06715583a988e86be3
import os import os.path import random import re import stat import subprocess import sys import time from html.parser import HTMLParser def out(message, *args, **kwargs): print(message.format(*args, **kwargs)) def log(message, *args, **kwargs): print(message.format(*args, **kwargs), file=sys.stderr) def err(*args...
nightjuggler/peaks
sps_create.py
Python
mit
99,988
[ "VisIt" ]
127146907db4ede29e74ca66fd59ef530d09c5e5cdadddfdd0fcd4cd28f1497e
# # @file TestXMLToken.py # @brief XMLToken unit tests # # @author Akiya Jouraku (Python conversion) # @author Michael Hucka <mhucka@caltech.edu> # # ====== WARNING ===== WARNING ===== WARNING ===== WARNING ===== WARNING ====== # # DO NOT EDIT THIS FILE. # # This file was generated automatically by converting ...
TheCoSMoCompany/biopredyn
Prototype/src/libsbml-5.10.0/src/bindings/python/test/xml/TestXMLToken.py
Python
bsd-3-clause
24,842
[ "VisIt" ]
08411f7e6e6258021970021b2c59e5ca3fcd45f40e2c3de0e8a3dd1311eb3817
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ Provides a class for interacting with KPath classes to generate high-symmetry k-paths using different conventions. """ import itertools from warnings import warn import networkx as nx import numpy as np from pymatgen.sy...
vorwerkc/pymatgen
pymatgen/symmetry/bandstructure.py
Python
mit
14,766
[ "pymatgen" ]
2642c4c78615ea329383d198d779d50f4b1a87797b957e80b760c8e5aac180f1
#!/usr/bin/env python import numpy import scipy.linalg from pyscf import lib from mpi4pyscf.lib import logger from mpi4pyscf.tools import mpi class DistributedDIIS(lib.diis.DIIS): def _store(self, key, value): if self._diisfile is None: if isinstance(self.filename, str): fil...
sunqm/mpi4pyscf
mpi4pyscf/lib/diis.py
Python
gpl-3.0
2,393
[ "PySCF" ]
d0099d740a5997ca7443ec9521e7aca8baadbad9f6d9942a46e6bac83787ae1e
from enum import IntEnum from itertools import chain from collections import namedtuple, defaultdict from rdkit import Chem from ._base import Descriptor from ._util import parse_enum from ._atomic_property import AtomicProperty __all__ = ("Chi",) class ChiType(IntEnum): __slots__ = () path = 1 cluste...
mordred-descriptor/mordred
mordred/Chi.py
Python
bsd-3-clause
6,216
[ "RDKit" ]
4e9392df7d937b0297956e894b8c9252a6516df1e0b4baf6a1c3607cb14cd04f
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides class to generate and analyze interfacial reactions. """ import warnings import matplotlib.pylab as plt import numpy as np from pymatgen.core.composition import Composition from pyma...
gmatteo/pymatgen
pymatgen/analysis/interface_reactions.py
Python
mit
22,139
[ "pymatgen" ]
bcdaf63101d02a11f8894c2ffa9675513eda93b7f345d28a4e63186a2a44773a
# This file is part of Androguard. # # Copyright (C) 2012, Geoffroy Gueguen <geoffroy.gueguen@gmail.com> # 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:/...
andymg/androguard
androguard/decompiler/dad/instruction.py
Python
apache-2.0
33,388
[ "VisIt" ]
90e70b544b90f4c83cc6cfe3e2f2661821a68ebb2dc0ac4f4243472972dcb78c
""" Model grism spectra in individual FLTs """ import os from collections import OrderedDict import copy import numpy as np import scipy.ndimage as nd import matplotlib.pyplot as plt import astropy.io.fits as pyfits from astropy.table import Table import astropy.wcs as pywcs import astropy.units as u #import stwcs ...
gbrammer/grizli
grizli/model.py
Python
mit
195,537
[ "Galaxy", "Gaussian", "VisIt" ]
a48c4132840b1ff2b3ee6999e2cb8fe98605b646fc3f0492448806c7602edb22
import numpy as np from ase import Atoms, Atom from ase.parallel import barrier, rank, size from gpaw.cluster import Cluster from gpaw.test import equal from ase.structure import molecule from math import pi, sqrt R = 2.0 CO = Atoms([Atom('C', (1, 0, 0)), Atom('O', (1, 0, R))]) CO.rotate('y', pi/2) equal(CO.position...
robwarm/gpaw-symm
gpaw/test/cluster.py
Python
gpl-3.0
2,383
[ "ASE", "GPAW" ]
6b168ea51f043e9e71917983e5ec3bd82707e7d073ce346e0afbce8031b6a4ad
# # Copyright 2018 Analytics Zoo 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...
intel-analytics/analytics-zoo
pyzoo/zoo/chronos/examples/distributed/distributed_training_network_traffic.py
Python
apache-2.0
4,292
[ "ORCA" ]
65e84ae939ffb21338fc068755cca460dcbcad1d69cd193202523d65130b823f
# -*- coding: utf-8 -*- ## ## This file is part of Invenio. ## Copyright (C) 2011, 2012 CERN. ## ## Invenio is free software; you can redistribute it and/or ## modify it under the terms of the GNU General Public License as ## published by the Free Software Foundation; either version 2 of the ## License, or (at your opt...
kaplun/ops
modules/bibauthorid/lib/bibauthorid_webinterface.py
Python
gpl-2.0
148,959
[ "VisIt" ]
9bf077dfd1c2053898f17672848239df0a8eac223718bd79df28374f8b2d8efa
# This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. # """Provide classes for dealing with Training Neural Networks.""" # standard modules import random class TrainingExample(object): """Hold input...
zjuchenyuan/BioWeb
Lib/Bio/NeuralNetwork/Training.py
Python
mit
3,110
[ "Biopython" ]
f88ef7dab2a1566c4bcc3cee1f4d688e91f4102171fe19bb027d3ad4d77c5831
from galaxy.util import topsort def test_topsort_level_stability(): data = [ (0, 2), (1, 2), (2, 3), (2, 4), (3, 4), (3, 5), (6, 2), ] assert topsort.topsort_levels( data )[ 0 ] == [ 0, 1, 6 ] assert topsort.topsort( data ) == [ 0, 1, 6, 2, 3, 4,...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/test/unit/test_topsort.py
Python
gpl-3.0
1,064
[ "Galaxy" ]
6d3292da64e22356caa152ad9612ef9e758ea5e01f3a9426b73dfb938b2dc9b6
#!/usr/bin/env python from vtk import * csv_source = vtkDelimitedTextReader() csv_source.SetFieldDelimiterCharacters(",") csv_source.SetHaveHeaders(True) csv_source.SetDetectNumericColumns(True) csv_source.SetFileName("authors.csv") csv_source.Update() T = csv_source.GetOutput() print "Table loaded from ...
timkrentz/SunTracker
IMU/VTK-6.2.0/Examples/Infovis/Python/delimited_text_reader1.py
Python
mit
344
[ "VTK" ]
f53e7fe8a161dcdb89c000285b116c1dda420324aafca85daacd20836e1dfd04
""" exodus.py v 1.03 (beta) is a python wrapper of some of the exodus II library Copyright (c) 2013, 2014, 2015, 2016 Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. Redistribution and use in source and binary for...
SalvusHub/salvus
src/py/pysalvus/model_handling/exodus.py
Python
mit
170,412
[ "NetCDF" ]
33ea530cc6442313b89a981b22744166676a9e8663ad35cb944592364800a7a4
#!/usr/bin/env python import os from ase.io import read from ase.neb import NEB from ase.calculators.turbomole import Turbomole from ase.optimize import BFGS initial = read('initial.coord') final = read('final.coord') os.system('rm -f coord; cp initial.coord coord') #restart configs = read('neb.traj@-5:') band = N...
alexei-matveev/ase-local
doc/ase/calculators/turbomole_ex3_restart_diffuse_usingNEB.py
Python
gpl-2.0
501
[ "ASE", "TURBOMOLE" ]
69110b7b4e9206392a2a6fe92871c228441702505267e8318b477d2fbdf17f8c
import psi4 import numpy as np import memory_profiler as mp import time import gc """ This is a simple script that verifies several ways of accessing numpy arrays and ensures that their memory is properly cleaned. """ # If its too small, something odd happens with the memory manager mat_size = 10000 def snapshot_mem...
jH0ward/psi4
tests/pytest/test_np_views.py
Python
lgpl-3.0
1,834
[ "Psi4" ]
8705be81f68a9ac75438bca31d80f0326979cab97b8b66a069cca83d5e349aee
from __future__ import (absolute_import, division, print_function) from mantid.api import (DataProcessorAlgorithm, mtd, AlgorithmFactory, FileProperty, FileAction, MultipleFileProperty, WorkspaceProperty, PropertyMode, Progress) from mantid.simple...
ScreamingUdder/mantid
Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SingleCrystalDiffuseReduction.py
Python
gpl-3.0
20,442
[ "CRYSTAL" ]
cdd1c0b57eae1f12f77c0e3ee9076df7149eb419ae3a1d812edfe0a3f12dfe68
# coding=utf-8 # (The line above is necessary so that I can use 世界 in the # *comment* below without Python getting all bent out of shape.) # Copyright 2007-2009 Google Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may o...
anlhord/gofrontend
support/codereview/codereview.py
Python
bsd-3-clause
111,287
[ "VisIt" ]
7d02c127dfffdf428c0c722fae1bb1fa1448940f705850377997897d7253e2c0
# # 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...
yashdsaraf/scancode-toolkit
src/scancode/cli.py
Python
apache-2.0
32,883
[ "VisIt" ]
39af1efa5c3deedb5ff2430aaba7daaecec822614e6d0c0432e35dfd933149a6
# # # # # # Tool to downscale the CMIP5 data from the PCMDI group. # # # # # def shiftgrid(lon0,datain,lonsin,start=True,cyclic=360.0): import numpy as np """ Shift global lat/lon grid east or west. .. tabularcolumns:: |l|L| ============== ==================================================== Arguments D...
ua-snap/downscale
old/old_bin/ar5_model_data_downscaling_fix.py
Python
mit
22,871
[ "NetCDF" ]
53b2d64aedd7e2224eb06696896df98889e05f92c45b8b0f72c5203d0435c585
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
lgarren/spack
var/spack/repos/builtin/packages/r-affxparser/package.py
Python
lgpl-2.1
2,176
[ "Bioconductor" ]
792ff34e63cfe6c775372d29bb3897a4fbf078f44b95973e93c7c5ef06b4ac56
""" Compute the centerlines according to Kienholz et al (2014) - with modifications. The output is a list of Centerline objects, stored as a list in a pickle. The order of the list is important since the lines are sorted per order (hydrological flow level), from the lower orders (upstream) to the higher orders (downst...
jlandmann/oggm
oggm/core/preprocessing/centerlines.py
Python
gpl-3.0
37,648
[ "NetCDF" ]
6cb13cf0a77baf42456b1cc278c61c49cd7493e81bbba2cb5941fd88d95b37f0
# ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # --------------------------------------------...
kdmurray91/scikit-bio
skbio/stats/ordination/_canonical_correspondence_analysis.py
Python
bsd-3-clause
8,409
[ "scikit-bio" ]
4227d3dba4058aeb94c175032d71ee41c53c9b8a39ab19c74c19b9a0a06658a0
""" POOL XML Catalog Class This class handles simple XML-based File Catalog following the POOL project schema. It presents a DIRAC generic File Catalog interface although not complete and with several extensions """ from __future__ import print_function from __future__ import absolute_import from __future__...
ic-hep/DIRAC
src/DIRAC/Resources/Catalog/PoolXMLCatalog.py
Python
gpl-3.0
11,925
[ "DIRAC" ]
65b874fd56940c88dcec10bb5ceba7ea861b92c9763ed940657d319976b7eedd
""" Tests minimise module. Tests the :meth:`GridSearch.fin_minimum`, method - an alternative to calling :meth:`numpy.argmin` and :meth:`numpy.nanmin`, which are used by default. The main part of this test is verifying the :class:`GridSearch` class, particularly the `meth:`GridSearch.minimise` method. """ import numpy...
ashleyrback/echidna
echidna/test/test_minimise.py
Python
mit
7,878
[ "Gaussian" ]
765b34d3f60ffc674b30409f972e2b38159217c041c603c61ad74be620b9c27d
# Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of t...
BackupTheBerlios/espressopp
src/integrator/ExtForce.py
Python
gpl-3.0
1,927
[ "ESPResSo" ]
170e591f357e3b0ceaf934f644e07d8249aefbc27b8d6ce1df6e2ee91b69d44e
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module implements Compatibility corrections for mixing runs of different functionals. """ # flake8: ignore=E712 import os import warnings from itertools import groupby from typing import List, Optional, Union import n...
materialsproject/pymatgen
pymatgen/entries/mixing_scheme.py
Python
mit
37,977
[ "VASP", "pymatgen" ]
c972b88d4a4bddea09f828af4b60259bf52229e3fe75593fc800f7e86e27348b
#File: gini_plot.py #Created: Mon 12 Mar 2012 03:00:01 PM CDT #Last Change: Wed 03 Oct 2012 04:08:38 PM CDT #Author: Steven Boada import pylab as pyl import cPickle as pickle galaxies = pickle.load(open('galaxies.pickle','rb')) galaxies = filter(lambda galaxy: galaxy.Gini is not None, galaxies) f1 = pyl.figure(1,fig...
boada/ICD
sandbox/legacy_plot_code/plot_G_vs_M20.py
Python
mit
1,313
[ "Galaxy" ]
957c87313ea3ac429bc6ef5f1015d485e8574c733afce440eb8bc4cfc10e7a57
# -*- coding: utf-8 -*- # # Minecraft-Mods documentation build configuration file, created by # sphinx-quickstart on Sun Feb 14 15:21:55 2016. # # 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...
Heroes-Academy/Minecraft_Spring_2016
docs/source/conf.py
Python
mit
9,223
[ "Brian" ]
9d97539b9666aba4f986c01caeaf503ab1eef4ad71a14e1221b54b3a6dbb42d0
""" Simple multi-layer perception neural network using Minpy """ # import minpy import minpy.numpy as np from minpy.nn import layers from minpy.nn.model import ModelBase from minpy.nn.solver import Solver from minpy.nn.io import NDArrayIter from examples.utils.data_utils import get_CIFAR10_data from minpy.context impor...
shadowleaves/deep_learning
twolayer/minpy_batchnorm.py
Python
mit
3,754
[ "Gaussian" ]
55dbbabffba38d6f3980a5848c741ff9b190868771c6e4223f25266a6c977859
# Copyright 2006, 2007 by Peter Cock. All rights reserved. # # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Bio.SeqIO support for the "phylip" (PHYLIP) file format. You are expected to use this...
dbmi-pitt/DIKB-Micropublication
scripts/mp-scripts/Bio/SeqIO/PhylipIO.py
Python
apache-2.0
14,785
[ "Biopython" ]
7cd21cb22cb6ca6861e263dce13d9250860e7e8a0eb74c8485a69964bcbd347a
# ============================================================================ # # Copyright (C) 2007-2012 Conceptive Engineering bvba. All rights reserved. # www.conceptive.be / project-camelot@conceptive.be # # This file is part of the Camelot Library. # # This file may be used under the terms of the GNU General...
jeroendierckx/Camelot
camelot/core/dbprofiles.py
Python
gpl-2.0
9,414
[ "VisIt" ]
d14d9062b8d39308b4d2afbf661a27e0cd15836df33ac49878810869baff7785
""" .. _sfm-track: ================================================== Tracking with the Sparse Fascicle Model ================================================== Tracking requires a per-voxel model. Here, the model is the Sparse Fascicle Model, described in [Rokem2014]_. This model reconstructs the diffusion signal as...
JohnGriffiths/dipy
doc/examples/sfm_tracking.py
Python
bsd-3-clause
4,924
[ "Brian" ]
74363ae87c45b8a76f040a4c2627bf93090e8e7f5a3363e8ceaa18a446a67886
#!/usr/bin/env python import vtk def get_program_parameters(): import argparse description = 'Read and display ExodusII data.' epilogue = ''' ''' parser = argparse.ArgumentParser(description=description, epilog=epilogue) parser.add_argument('filename', help='A required filename e.g mug.e.') ...
lorensen/VTKExamples
src/Python/IO/ReadExodusData.py
Python
apache-2.0
2,101
[ "VTK" ]
7acc88e4f0b5cdbc2b51436e0f926f651c63042ed3cb1f927408fc0283219ef3
from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class emp_test(SimpleVTKClassModuleBase): """This is the minimum you need to wrap a single VTK object. This __doc__ string will be replaced by the __doc__ string of the encapsulated VTK object, i.e. vtkStripper in this case. ...
chrisidefix/devide
testing/emp_test/emp_test.py
Python
bsd-3-clause
889
[ "VTK" ]
ddd335883a4cd0e3b91b7560113b5c48439ebcb0d5059b95da3413065ffad3ec
""" Copyright (C) 2011 N.D. Price Lab This program is free software: you can redistribute it and/or modify it under the terms of the GNU Affero General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in th...
JohnCEarls/AUREA
src/AUREA/packager/DataPackager.py
Python
agpl-3.0
19,414
[ "DIRAC" ]
fc8181e4b9dd9dd2a3aa817fb0ca4cf3190cbf41d5b2776ebce7f13993984b45
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals import math from collections import namedtuple, defaultdict import six import ruamel.yaml as yaml import os import json from copy import deepcopy from pymatg...
nisse3000/pymatgen
pymatgen/analysis/local_env.py
Python
mit
125,931
[ "Gaussian", "Jmol", "VASP", "pymatgen" ]
693060442095191cdf7925b16ec4ad0bff07e0d73491df4ff707ea696ed2072a
from setuptools import setup setup( name='trefoil', version='0.3.2', packages=['trefoil', 'trefoil.analysis', 'trefoil.cli', 'trefoil.geometry', 'trefoil.geometry.tests', 'trefoil.netcdf', 'trefoil.render', 'trefoil.render.renderers', 'trefoi...
consbio/clover
setup.py
Python
bsd-3-clause
1,246
[ "NetCDF" ]
71bbd49b891680eb87c631d21b5a90e5aa89d80f1d161434d9b008748e8b6215
#!/usr/local/bin/python-2.5/bin/python Info=""" Module name: cfg2lammps.py Author: (c) Andres Jaramillo-Botero California Institute of Technology ajaramil@wag.caltech.edu Project: pEFF Version: August 2009 Reads in an eff .cfg file and produces the corresponding lammps data and input files NOTE: Unsupported functio...
quang-ha/lammps
tools/eff/cfg2lammps.py
Python
gpl-2.0
11,564
[ "LAMMPS" ]
1754ffc6bc523a1c0656d77384dc1f46bfcc315ad04bd52f6f7d9d851cb63306
############################################################################## # 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: ...
thempel/adaptivemd
adaptivemd/analysis/pyemma/msmanalyze.py
Python
lgpl-2.1
4,318
[ "MDTraj" ]
490ac1235c4032014626189bf910e7887f8788ea19776bbd90863ba5a2878b11
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * import sys import os import socket import glob import shutil import llnl.util.tty as tty from os imp...
iulian787/spack
var/spack/repos/builtin/packages/ascent/package.py
Python
lgpl-2.1
21,094
[ "VTK" ]
1c029d7e06c08ae2723115cbb5765ecea3c6a164805f665bb174dc4512f71d2d
# -*- coding: utf-8 -*- """ End-to-end tests for the LMS. """ import json from datetime import datetime, timedelta import ddt from flaky import flaky from nose.plugins.attrib import attr from ...fixtures.course import CourseFixture, XBlockFixtureDesc from ...pages.common.auto_auth import AutoAuthPage from ...pages.c...
fintech-circle/edx-platform
common/test/acceptance/tests/lms/test_lms_courseware.py
Python
agpl-3.0
40,066
[ "VisIt" ]
15d7a8557a3f1387c20696a440e975c8dcbe74345bf9fc466e5b59a2ac084b3c
""" Demonstration application for range search using kd tree. Left mouse adds point. Right mouse click begins drag of rectangle. """ import tkinter from adk.kd import KDTree, X, Y, VERTICAL from adk.region import Region, minValue, maxValue RectangleSize = 4 class KDTreeApp: ...
heineman/algorithms-nutshell-2ed
PythonCode/demo/app_kd_range.py
Python
mit
5,297
[ "VisIt" ]
b313ebe01dd8a84cfc1090ce0976414859b8ac00bff566bb693fcde61a83cb24
from numpy import array_split, concatenate from pandas import DataFrame from ._match_randomly_sampled_target_and_data_to_compute_margin_of_errors import ( _match_randomly_sampled_target_and_data_to_compute_margin_of_errors, ) from ._match_target_and_data import _match_target_and_data from ._permute_target_and_matc...
UCSD-CCAL/ccal
ccal/_match.py
Python
mit
3,073
[ "MOE" ]
2117e9089d34a63cd5bf80305b60ed030486f83c13cc2227e8a33bf195647dde
# Copyright 2010 United States Government as represented by the # Administrator of the National Aeronautics and Space Administration. # Copyright 2012 Hewlett-Packard Development Company, L.P. # # Licensed under the Apache License, Version 2.0 (the "License"); you may # not use this file except in compliance with the L...
HybridF5/nova
nova/tests/unit/matchers.py
Python
apache-2.0
19,775
[ "VisIt" ]
005aa1f93d3777c7ee47476571af2276bf5aedb54611f299c3ea0de719bc7b7b
#!/bin/python2 if __name__ == "__main__": #if run in standalone from sys import exit import argparse from libs.InAndOut import importer, saveKey parser = argparse.ArgumentParser(description='Offline analysis for\ spiking neural networks') #Files to open parser.add_argument('--store-dir', ...
nico202/pyNeMo
Analyze.py
Python
gpl-2.0
4,060
[ "NEURON" ]
da4690941be05e906557a8cb554b9724687d368f5eeb905be6fe410c8f9d5462
# petclaw to vtk import os import numpy as np from petsc4py import PETSc import pickle import glob import shutil def post_calculation(): pass class IO(object): def read_petsc(self): if hasattr(self, 'frame'): frame = self.frame if hasattr(self,'file_prefix'): file_prefix = self.file_pre...
nthakkar/emclaw
utils/inout.py
Python
gpl-2.0
7,567
[ "VTK" ]
a3ab295e6bba4cfb2df785c2a03958ac9aa2984edc04466532455a9f6b747d60
#!/usr/bin/env python # -*- coding: iso-8859-1 -*- ########################################################################### # ESPResSo++ # # Test script for Converting GROMACS tabulated file # # ...
junghans/espressopp
examples/convert_gromacs_tables/convert_gromacs_table.py
Python
gpl-3.0
6,166
[ "ESPResSo", "Gromacs" ]
dcd8f15e6d2e174ddc7f03a4b8144258fe7138c76d29c89dbd0b38a784163af1
from __future__ import absolute_import, division, print_function # ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed ...
JWDebelius/scikit-bio
skbio/util/_exception.py
Python
bsd-3-clause
419
[ "scikit-bio" ]
995eabacd5eb14d720e370bd6d2608b3f47d6daeb9f2daafbe06b65ccd909406
#pylint: disable=missing-docstring #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/...
nuclear-wizard/moose
python/chigger/annotations/ImageAnnotation.py
Python
lgpl-2.1
4,106
[ "MOOSE", "VTK" ]
59adcce62770a55349f021e5e6dbce2d55c27b9ff0fae72c82bd127197a9bf0a
def extractLolitiveMoe(item): ''' DISABLED Parser for 'lolitive.moe' ''' return None
fake-name/ReadableWebProxy
WebMirror/management/rss_parser_funcs/feed_parse_extractLolitiveMoe.py
Python
bsd-3-clause
92
[ "MOE" ]
e2590105d7dbfaf0a2eb4ee0e8f4f531fb0da85e7b2491f818fe50300b8b7fef
# -*- coding: utf-8 -*- """ Created on 20/10/2016 @author: Charlie Bourigault @contact: bourigault.charlie@gmail.com Please report issues and request on the GitHub project from ChrisEberl (Python_DIC) More details regarding the project on the GitHub Wiki : https://github.com/ChrisEberl/Python_DIC/wiki Current File: ...
ChrisEberl/Python_DIC
functions/filterFunctions.py
Python
apache-2.0
3,537
[ "Gaussian" ]
f244e5f0650dab88528f1226bb9739ca54575806cdaa94e5bf44e1e769be04df
import numpy as np from ase.data import atomic_numbers, chemical_symbols from ase.units import Bohr from gpaw.setup import Setups from gpaw.xc import XC from gpaw.mpi import world Bondi64jpc_vdWradii = { # units Anstrom 'He' : 1.40, 'Ne' : 1.54, 'Ar' : 1.88, 'Kr' : 2.02, 'Xe' : 2.16 } def vdWradi...
qsnake/gpaw
gpaw/analyse/vdwradii.py
Python
gpl-3.0
2,296
[ "ASE", "GPAW" ]
8c856dfb4c3110c7f6fa62affab538ad42b472837c3b1984b693490711c45935
"""A setuptools based setup module. See: https://packaging.python.org/en/latest/distributing.html https://github.com/pypa/sampleproject """ # Always prefer setuptools over distutils from setuptools import setup, find_packages # To use a consistent encoding from codecs import open from os import path here = path.absp...
mackst/glm
setup.py
Python
mit
8,032
[ "VisIt" ]
1def791d2c18b9341595bb73cf0c87e79fa20ac6c801311c94fee301e834bcf3
#!/usr/bin/python # -*- coding: utf-8 -*- # Copyright 2014, Dennis Drescher # All rights reserved. # # 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 ...
thresherdj/shrinkypic
setup.py
Python
mit
1,604
[ "VisIt" ]
ceaffe1c6d6852f9a70e2c405fb23df0c8f9fd0dc227fe1b4afcc9b19ef9f97e
"""Use PyMOl to create templates for bomeba""" import numpy as np np.set_printoptions(precision=2) import __main__ __main__.pymol_argv = ['pymol','-qck'] import pymol from pymol import cmd, stored pymol.finish_launching() import openbabel as ob # set hydrogen names to PDB compliant cmd.set('pdb_reformat_names_mode', ...
BIOS-IMASL/bomeba0
bomeba0/scaffold/gen_templates_gl.py
Python
apache-2.0
2,639
[ "PyMOL" ]
8873fc30150e1f1e3b4ccceb4fe93c903aaabf9e96526359efa2afff55994730
#!/usr/bin/python # -*- coding: utf-8 -*- # --------------------------------------------------------------------- # Copyright (c) 2012 Michael Hull. # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions # are m...
mikehulluk/morphforge
src/morphforge/simulation/neuron/simulationdatacontainers/__init__.py
Python
bsd-2-clause
1,813
[ "NEURON" ]
174d40a14762037a6756411164dc5483e87058a1bd31fe6a385f62551ee409f0
#!/usr/bin/env python # # Author: Qiming Sun <osirpt.sun@gmail.com> # import sys from pyscf import gto, scf from pyscf import lo from pyscf.tools import molden ''' Write orbitals in molden format ''' mol = gto.M( atom = ''' C 3.2883 3.3891 0.2345 C 1.9047 3.5333 0.2237 C 3.8560 2.1213 ...
gkc1000/pyscf
examples/tools/02-molden.py
Python
apache-2.0
1,649
[ "PySCF" ]
2d41297b5a7bf973e7e7bb771aaf152941d956796fd4ca06abdafb79930efcaa
#!/usr/bin/env python3 """Use this if the antenna timeing callibration changes""" import numpy as np from scipy.signal import resample import h5py from LoLIM.IO.raw_tbb_IO import MultiFile_Dal1, filePaths_by_stationName, read_antenna_pol_flips, read_bad_antennas from LoLIM.utilities import processed_data_dir, even_a...
Bhare8972/LOFAR-LIM
LIM_scripts/stationTimings/reCallibrate_pulses.py
Python
mit
3,845
[ "Brian" ]
f763c6ce8621472c7fcc8553f1ab170c51e2b515f6c0432707299fc313e4dfe7
from __future__ import print_function, division, unicode_literals import math import os import numpy as np from pymatgen.core.structure import Structure from pymatgen.io.vasp.inputs import Incar from mpinterfaces import VASP_STD_BIN, VDW_KERNEL, QUEUE_SYSTEM import mpinterfaces.utils as utl __author__ = "Michael As...
henniggroup/MPInterfaces
mpinterfaces/mat2d/friction/startup.py
Python
mit
7,609
[ "VASP", "pymatgen" ]
16298399584c51367d6f7f3c27d6a4811a1f99dcef2b254d75d4ebfb5b68a59f
""" DIRAC API Class All DIRAC functionality is exposed through the DIRAC API and this serves as a source of documentation for the project via EpyDoc. The DIRAC API provides the following functionality: - A transparent and secure way for users to submit jobs to the Grid, monitor them and re...
avedaee/DIRAC
Interfaces/API/Dirac.py
Python
gpl-3.0
108,354
[ "DIRAC" ]
a05aa6ba8fbb0f4147654669e445462e5ebe59acebb84f50e71162ac1d2fd531
#!/usr/bin/env python ## @package linesearch ## \author Ed Bueler, University of Alaska Fairbanks, USA ## \brief A script for doing a line search over stddev parameter of PDD. ## Copyright (C) 2010, 2012 Ed Bueler ## ## see README for role of this script ## This script uses NCO (http://nco.sourceforge.net/). import c...
matthiasmengel/pism_pik
examples/old/pddtune/linesearch.py
Python
gpl-2.0
11,882
[ "NetCDF" ]
dde71a96c74413d1a784dba9a5f66b87f63b0bea554728b77eaae3120bd84020
from __future__ import print_function, absolute_import, unicode_literals __all__ = ["corner", "hist2d"] __version__ = "1.0.2" __author__ = "Dan Foreman-Mackey (danfm@nyu.edu)" __copyright__ = "Copyright 2013-2015 Daniel Foreman-Mackey" __contributors__ = [ # Alphabetical by first name. "Adrian Price-Whelan @a...
earlbellinger/asteroseismology
regression/corner.py
Python
gpl-2.0
21,180
[ "Gaussian" ]
7304e8c6d32b8a7b1d41849659b56955cb21902b2780c9f884320be3ba68eb80
import numpy as np import csv import matplotlib.pyplot as plt plt.ion() print '\nEnter 1 to train and test on a subsample of the training data.' print 'Enter 0 to train on full training sample, and test on the Kaggle test data.\n' test_on_train = raw_input('ENTER 1 or 0: ') #read in training data csv_file_object = cs...
jesford/bike_sharing
bikerides.py
Python
mit
12,669
[ "Gaussian" ]
d1491a042bfb8f659b3d0a445046db90348bed86b1437460067519d04890aea4
import numpy as np import mygis from bunch import Bunch def write_file(date,info,cesm): """writes cesm input data to a netcdf file""" filename=info.output_file+str(date).replace(" ","_") dims=("time","level","lat","lon") dims_3d=("time","lat","lon") dims_2d=("lat","lon") extra_vars=[]...
gutmann/icar
helpers/cesm/output.py
Python
mit
3,666
[ "NetCDF" ]
56a5ccfe64dc75f689929fb2401f0902349060307de0a5570bdaeed02bd05aca
########################################################################## # this script was generated by openmm-builder. to customize it further, # you can save the file to disk and edit it with your favorite editor. ########################################################################## from __future__ import pri...
LCLS/Protein-Folding-Sims
hp24stab/amber03/OPENCL/amber03_implicit_noconstraints.py
Python
mit
1,661
[ "OpenMM" ]
a68db23e739c59435a34f5420ac464a9d4998835b77e36cb364e77eb2d35e67f
# Copyright (C) 2010-2019 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later v...
pkreissl/espresso
src/python/espressomd/accumulators.py
Python
gpl-3.0
11,637
[ "ESPResSo", "exciting" ]
74ce95b1fe3aace694ce3f1ea046329a0390f3e3c2ad42ea63f6051a0fb0429e
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007 Brian G. Matherly # Copyright (C) 2011 Tim G L Lyons # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either...
pmghalvorsen/gramps_branch
gramps/gen/proxy/proxybase.py
Python
gpl-2.0
33,787
[ "Brian" ]
4d15991218bcac6894e4cfc65b4818c4c8cced1093e3d11510ade2304a8c9653
from django.utils.translation import ugettext_lazy as _ from django.forms import ValidationError # noqa from django.core.urlresolvers import reverse from horizon import exceptions from horizon import forms from horizon import messages from crystal_dashboard.dashboards.crystal import exceptions as sdsexception from cr...
Crystal-SDS/dashboard
crystal_dashboard/dashboards/crystal/rings/storage_policies/forms.py
Python
gpl-3.0
7,588
[ "CRYSTAL" ]
62b3eee6d327c5c153b1f402ae46b7d16740f3b8e82db0eb6547487760a205c2
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
lgarren/spack
var/spack/repos/builtin/packages/r-nlme/package.py
Python
lgpl-2.1
1,745
[ "Gaussian" ]
3391935589c122f89b0b598df35f2a974a97a60e96a4ba7f403f225f8868f63b
#!/usr/bin/env python # -*- coding: utf-8 -*- #----------------------------------------------------------------------------- # update_backscatter.py, Angeline G. Burrell (AGB), UoL # # Comments: Update the beam's groundscatter flag, calculate the virtual height # and propagation path, determine the origin fie...
aburrell/davitpy
davitpy/pydarn/proc/fov/update_backscatter.py
Python
gpl-3.0
115,585
[ "Gaussian" ]
5dfff6a6505b9e42242bde9edffed3c1d82225b55db571cd5cb60cf1cceb3016
from pymbar import timeseries from pymbar import testsystems import numpy as np from scipy import stats from pymbar.utils_for_testing import eq, skipif from six.moves import xrange try: import statsmodels.api as sm HAVE_STATSMODELS = True except ImportError as err: HAVE_STATSMODELS = False def generate_d...
kyleabeauchamp/pymbar
pymbar/tests/test_timeseries.py
Python
lgpl-2.1
5,513
[ "Gaussian" ]
58b25ce355b2148cc85876628935f9c10766d49cd7c5732e8fe53f4d7075e90a
from flask import session, url_for from flask_nav import Nav from flask_nav.elements import Navbar, View, Subgroup, Link, Text, Separator, RawTag from flask_bootstrap.nav import BootstrapRenderer from hashlib import sha1 from dominate import tags nav = Nav() class SidedViewImage(View): def __init__(self, image_u...
baliga-lab/pf1010-web
aqxWeb/nav.py
Python
lgpl-3.0
4,675
[ "VisIt" ]
cfb5d2c8c3156794808e8ec0948474f997261fdddd35d89b90b1e9b4e9a2a15a
# -*- coding: utf-8 -*- from django.contrib import admin from django.utils.translation import ugettext as _ from koalixcrm.crm.contact.phone_address import PhoneAddress from koalixcrm.crm.contact.email_address import EmailAddress from koalixcrm.crm.contact.postal_address import PostalAddress from koalixcrm.crm.contact...
scaphilo/koalixcrm
koalixcrm/crm/contact/contact.py
Python
bsd-3-clause
9,499
[ "VisIt" ]
5770b153a8bf8a2610cb0b1bfc7512fefc4aa6d017da55351af0ffa896d27e3b
""" Utilities for downloading or generating datasets, splitting data, and computing accuracy metrics. """ import os import numpy as np import scipy.stats as st import requests from io import BytesIO from equadratures.scalers import scaler_minmax def gen_linear(n_observations=100, n_dim=5, n_relevent=5,bias=0.0, nois...
Effective-Quadratures/Effective-Quadratures
equadratures/datasets.py
Python
lgpl-2.1
10,747
[ "Gaussian", "VisIt" ]
425e35ba940240977fb1d6e865c5e1d74e8e3c316465b1e2d824f62a2b81088a
######################################################################### ## This program is part of 'MOOSE', the ## Messaging Object Oriented Simulation Environment. ## Copyright (C) 2014 Upinder S. Bhalla. and NCBS ## It is made available under the terms of the ## GNU Lesser General Public License version 2...
dilawar/moose-full
moose-examples/snippets/MULTI/TuringInNeuron.py
Python
gpl-2.0
7,210
[ "MOOSE" ]
80ed190b4a5932c6a6abf301f4a44a688f7c86cef2c786e9cbae01e06fe00e5d
""" This sample demonstrates a simple skill built with the Amazon Alexa Skills Kit. The Intent Schema, Custom Slots, and Sample Utterances for this skill, as well as testing instructions are located at http://amzn.to/1LzFrj6 For additional samples, visit the Alexa Skills Kit Getting Started guide at http://amzn.to/1LG...
greginvm/groceries-bot
alexa/alexa.py
Python
mit
8,284
[ "VisIt" ]
f51cd51042aedafa913af8927f67a5824ee13fa01b4ede87c8d61b9c158875a0
import os import glob import mdtraj as md class Everything(object): def __contains__(self, other): return True run_whitelist = [0, 102, 104, 107, 122, 134, 139, 143, 144, 151, 155, 184, 1, 23, 2, 33, 35, 37, 38, 39, 43, 58, 60, 62, 65, 70, 71, 73, 74, 77, 79, 83, 87, 99] #run_whitelist = Everything() sou...
hainm/MSMs
attic/src/code/fahprocessing/concat.py
Python
gpl-2.0
1,157
[ "MDTraj" ]
c4b3445ad0053ec45018f50990aa3eb20e5096fcafbc62f91e2294ed13dc8bf3
#!/usr/bin/env python #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgpl...
nuclear-wizard/moose
framework/doc/doxygen/create_dox.py
Python
lgpl-2.1
1,459
[ "MOOSE" ]
6d7493fee84650c1d1f98f876b8d5dc5cca56ad0c48c99afa34416a8514da1f4
# FreeCAD init script of the Fem module # (c) 2001 Juergen Riegel #*************************************************************************** #* (c) Juergen Riegel (juergen.riegel@web.de) 2002 * #* * #* This file i...
timthelion/FreeCAD
src/Mod/Fem/Init.py
Python
lgpl-2.1
2,560
[ "VTK" ]
dbcad54e820ef5ccde90d744fd6aec0137734f9cc315f40433024b618411682d
from numpy import *; import kNN import numpy as np import matplotlib.pyplot as plt from mayavi import mlab ''' @author: Michael Wan @since: 2014-11-01 ''' def etsIntro(): x, y = np.ogrid[-2:2:20j, -2:2:20j] z = x * np.exp( - x**2 - y**2) pl = mlab.surf(x, y, z, warp_scale="auto") ...
onehao/opensource
pyml/inaction/ch02/knn/mydebug.py
Python
apache-2.0
2,717
[ "Mayavi" ]
8101b6d383e19294dc42a796fca8413082fbaf503eb2cac941ca5209758d7007
""" Signal ====== The signal module constains all kinds of signal processing related functions. .. inheritance-diagram:: acoustics.signal Filtering ********* .. autoclass:: Filterbank .. autofunction:: bandpass_filter .. autofunction:: octave_filter .. autofunction:: bandpass .. autofunction:: lowpass .. autofunct...
giumas/python-acoustics
acoustics/signal.py
Python
bsd-3-clause
40,055
[ "Gaussian" ]
dcf9dcb82dcbeb747a4e022a02782c3888b38ab6122db68f87b72563ef259b85
p00022 = r""" <H1>Maximum Sum Sequence</H1> <p> Given a sequence of numbers <var>a<sub>1</sub></var>, <var>a<sub>2</sub></var>, <var>a<sub>3</sub></var>, ..., <var>a<sub>n</sub></var>, find the maximum sum of a contiguous subsequence of those numbers. Note that, a subsequence of one element is also a <i>contiquous</...
google-research/runtime-error-prediction
core/data/example_problem_descriptions.py
Python
apache-2.0
17,198
[ "VisIt" ]
0d0f384a56504399892821bc2f2ad579e252c99abe6fb7ca74154ff382124354
# # Copyright (C) 2013-2019 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later...
fweik/espresso
testsuite/python/constant_pH_stats.py
Python
gpl-3.0
4,194
[ "ESPResSo" ]
d62228cb5b3bea2ea38d080f5ecd3929a9d670de99536ccdd4d5b92313ab41e1
from __future__ import division, absolute_import, print_function import numpy as np from numpy.testing import ( TestCase, run_module_suite, assert_, assert_raises, assert_equal, assert_warns, assert_array_equal, assert_array_almost_equal) from numpy import random from numpy.compat import asbytes import...
chiffa/numpy
numpy/random/tests/test_random.py
Python
bsd-3-clause
59,785
[ "Gaussian" ]
b2af98a4986b64ae1160f55d27a19ee045054143dad8019692aaee30b7297cb4
import unittest, random, sys, time, re, math sys.path.extend(['.','..','py']) import h2o, h2o_cmd, h2o_hosts, h2o_browse as h2b, h2o_import as h2i, h2o_glm import h2o_util, h2o_browse as h2b, h2o_gbm # use randChars for the random chars to use def random_enum(randChars, maxEnumSize): choiceStr = randChars r = ...
woobe/h2o
py/testdir_single_jvm/test_GLM2_ints_unbalanced.py
Python
apache-2.0
6,252
[ "Gaussian" ]
ffa735500c841b7284f66fd34374b6921f07c218aa9f885ddbb308a78de8b625
""" DIRAC Basic MySQL Class It provides access to the basic MySQL methods in a multithread-safe mode keeping used connections in a python Queue for further reuse. These are the coded methods: __init__( host, user, passwd, name, [maxConnsInQueue=10] ) Initializes the Queue and tries to connect to...
arrabito/DIRAC
Core/Utilities/MySQL.py
Python
gpl-3.0
54,673
[ "DIRAC" ]
a59c32457fe342805a39ee905ebb537e19d327e1d9949fac85d2d61557688d6e
# Placeholder because KDTree moved # Remove this in version 1.0 __all__ = ['NeighborSearch'] import warnings with warnings.catch_warnings(): warnings.simplefilter('always', DeprecationWarning) warnings.warn(('KDTree has been removed in 0.11. Instead you can use the ' 'BioPython or scikit-le...
alejob/mdanalysis
package/MDAnalysis/KDTree.py
Python
gpl-2.0
671
[ "Biopython", "MDAnalysis" ]
d8e1d4bc5b289a53d5e185f6e5fd747ad28a788d6b6418c97ad09c18fe597d0e
from pyibex import * from pyibex.thickset import * from pyibex.geometry import CtcPolar from vibes import vibes import math import numpy as np vibes.beginDrawing() class ThickRotation(ThickTest): def __init__(self, th1, th2, y): ThickTest.__init__(self, 2) self.th = Interval(th1, th2) self.y = IntervalV...
benEnsta/pyIbex
pyibex/thickset/examples/thickTransform/ex2_rotbox.py
Python
lgpl-3.0
4,039
[ "VisIt" ]
b86acd690e7d9727e2865f66ddfaa851247eefc25fdaaf97405e1f7047e9182f
import datetime import time import zlib import hashlib import redis import re import mongoengine as mongo import random import requests import HTMLParser from collections import defaultdict from pprint import pprint from BeautifulSoup import BeautifulSoup from mongoengine.queryset import Q from django.conf import setti...
eric-stanley/NewsBlur
apps/social/models.py
Python
mit
137,635
[ "BLAST" ]
33248716eb7a1ddb22b017a8bbfc11e48163d0eae9df14b3441d1696d1d056bb
__author__ = 'saeedamen' # Saeed Amen # # Copyright 2016 Cuemacro # # 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 ...
cuemacro/chartpy
chartpy/engine.py
Python
apache-2.0
96,504
[ "ORCA" ]
931c840cc2070103faf649834d1a110a87b5f2dc7f70f56f2472a2eb67b4dc25
# -*- coding: utf-8 -*- # Documentation {{{1 # ######################## # Copyright (C) 2009-2013 Roman Zimbelmann <hut@lavabit.com> # This configuration file is licensed under the same terms as ranger. # =================================================================== # This file contains ranger's commands. # ...
alejandrogallo/dotfiles
link_config/ranger/commands.py
Python
unlicense
38,023
[ "VASP" ]
55834f4b7e1307e5e1683845dc8ae1b9ee110a2a690f1696488ab4c00721af90
#!/usr/bin/env python from multiprocessing import Pool import time import os import sys import argparse from Bio import SeqIO from Bio.Seq import Seq from Bio.Alphabet import IUPAC from Bio.SeqUtils import GC from Bio.SeqRecord import SeqRecord #from Bio.Seq import Seq #from Bio.Alphabet import generic_dna # Copyrigh...
nguyenngochuy91/Ancestral-Blocks-Reconstruction
format_db.py
Python
gpl-3.0
12,985
[ "BLAST" ]
19efdfe1e37a7599eb5501b7439d4e443302118bf5d14279dc979cd7f2e79035
""" Functions to calculate the downstream water surface elevation by minimizing the difference between flows calculated via the Manning Formula for discharge and the historical peak flood values. (https://en.wikipedia.org/wiki/Manning_formula) (https://en.wikipedia.org/wiki/Volumetric_flow_rate) Author: Matthew ...
VirtualWatershed/CoRD
cord/modelrun.py
Python
bsd-3-clause
22,297
[ "NetCDF" ]
6359f02afcdb3fba36ac282f2707865a2a09d397249303992535b81f27b7ec34