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#!/usr/bin/env python from __future__ import print_function ## Author: Chris Wymant, c.wymant@imperial.ac.uk ## Acknowledgement: I wrote this while funded by ERC Advanced Grant PBDR-339251 ## ## Overview: ExplanatoryMessage = '''For each bam file in the list given as input, this script does the following. The distribu...
BDI-pathogens/phyloscanner
tools/EstimateReadCountPerWindow.py
Python
gpl-3.0
14,576
[ "pysam" ]
a88bd0e45e4c32af737cc7b9936d107dd92d9e7707dce5e2fe95da74b9ddc0dd
# -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
googleapis/python-workflows
tests/unit/gapic/executions_v1/test_executions.py
Python
apache-2.0
88,445
[ "Octopus" ]
2cac194953aefcf76cf2753d0e2bda04bb1d40eec4d2f94480aede087897c059
__author__ = 'stephen' # =============================================================================== # GLOBAL IMPORTS: import os,sys import numpy as np import argparse # =============================================================================== # LOCAL IMPORTS: HK_DataMiner_Path = os.path.relpath(os.pardir) #...
stephenliu1989/HK_DataMiner
hkdataminer/scripts/test_dbscan.py
Python
apache-2.0
3,593
[ "MDTraj" ]
4f8f4b5d124136dfb812c371b30844b2e5fba3d490f787087fb75e2397329935
""" The Job Path Agent determines the chain of Optimizing Agents that must work on the job prior to the scheduling decision. Initially this takes jobs in the received state and starts the jobs on the optimizer chain. The next development will be to explicitly specify the path through the optimizers. """ __...
marcelovilaca/DIRAC
WorkloadManagementSystem/Executor/JobPath.py
Python
gpl-3.0
4,241
[ "DIRAC" ]
e68edc4c90c6033983b3456d3337918eb650ac9403990096baecdff0f32a2515
import pytest import numpy as np from cplpy import run_test, prepare_config import os # -----Velocities TESTS----- # EXPLANATION: MD_FNAME = "lammps_vels.in" MD_ARGS = "-in " + MD_FNAME MD_EXEC = "lmp_cpl" CFD_FNAME = "dummyCFD.py" CFD_ARGS = CFD_FNAME CFD_EXEC = "python" TEST_TEMPLATE_DIR = os.path.join(os.environ[...
Crompulence/cpl-library
examples/sockets/LAMMPS/LAMMPS-dev/cpl-socket/test/velocityP-C/test_vels.py
Python
gpl-3.0
3,494
[ "LAMMPS" ]
7adec9516a11cbcb51fe166f2941ac6fc7e9587d742e5b980b1701d9cbcc2a69
#!/usr/bin/env python # Copyright 2014-2020 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
sunqm/pyscf
pyscf/pbc/grad/kuhf.py
Python
apache-2.0
3,969
[ "PySCF" ]
516b10364c48dff0be8b4867901cd238de4fc3cc28340f3392a95bb6cd1cade1
# $Id$ # # Copyright (C) 2003-2006 greg Landrum and Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """ This functionality ...
jandom/rdkit
rdkit/DataStructs/BitEnsembleDb.py
Python
bsd-3-clause
1,571
[ "RDKit" ]
624d525b88e46dfb6e165688ff7ea5350fc659462f1733aadcca09bc3328ac3b
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import unittest import pickle import os import numpy as np import warnings import scipy.constants as const from pathlib import Path from monty.tempfile import ScratchDir from pymatgen.util.testing import Pymat...
fraricci/pymatgen
pymatgen/io/vasp/tests/test_inputs.py
Python
mit
33,414
[ "VASP", "pymatgen" ]
9e225fee51fc872239b87585f6f39d56f3e1ebd9ef5ba0bd1a3ff20f0f18d4c3
# -*- coding: utf-8 -*- """ @author: zhoujiagen Created on 15/07/2019 10:16 AM """ def construct_test(rule_file_path): """构造测试方法.""" with open(rule_file_path) as f: for rule_raw in f: rule = rule_raw[0:-1] rule_capitalize = rule[0].upper() + rule[1:] print(""" ...
zhoujiagen/giant-data-analysis
data-models/datamodel-logic/src/test/resources/test_antlr_rule.py
Python
mit
2,331
[ "VisIt" ]
ccdacb1f4cbf9704d92eeb07886d30face17a985f155d62efa3affaa7898917b
############################################################################## # 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/netcdf/package.py
Python
lgpl-2.1
10,483
[ "NetCDF" ]
c50fcd9834a6c0704dc1ca7faeb6ade49b8a4b7354e5bc4df4304f9cbb2c43a0
#!/usr/bin/python # -*- coding: utf-8 -*- from scipy import exp from scipy import __version__ from scipy.constants import pi, Avogadro if int(__version__.split(".")[1]) < 10: from scipy.constants import Bolzmann as Boltzmann else: from scipy.constants import Boltzmann from lib.meos import MEoS from lib import...
edusegzy/pychemqt
lib/mEoS/Methanol.py
Python
gpl-3.0
14,895
[ "Avogadro" ]
5eb19844ec4ee06e4d757b04dee2515df86ab228172b3a89efcc24be0c240fbb
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # jobschedule - shared scheduling functions # Copyright (C) 2003-2010 The MiG Project lead by Brian Vinter # # This file is part of MiG. # # MiG is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public Li...
heromod/migrid
mig/shared/jobschedule.py
Python
gpl-2.0
1,013
[ "Brian" ]
01adec3fe4dd4a35ebe2046d80a097be6c1def4f437c58a0e956806d5f3de041
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals, print_function import math import re import os import textwrap import warnings from collections import OrderedDict, deque import six from six.moves import zi...
aykol/pymatgen
pymatgen/io/cif.py
Python
mit
35,271
[ "Avogadro", "CRYSTAL", "pymatgen" ]
e5b672bf6fdd021daf9d5e8610a3530148b21bd2431c38801febf43b7e88829a
from jinja2.ext import Extension import os from pyjade import Parser, Compiler as _Compiler from pyjade.runtime import attrs from jinja2.debug import fake_exc_info from pyjade.utils import process ATTRS_FUNC = '__pyjade_attrs' class Compiler(_Compiler): def visitCodeBlock(self,block): self.buffer('{%% blo...
xlk521/cloudguantou
pyjade/ext/jinja.py
Python
bsd-3-clause
3,086
[ "VisIt" ]
974ebc7963b6dd2d081430ed719de0af85d3e9b246cfd9575a52b8fe775bcae5
from __future__ import division import numpy as np from auxiliary import rotation_matrix2 as rotation_matrix import time def compute_S_matrix_fast(zdir, xtal): ''' Computes the compliance and stiffness matrices S and C a given z-direction. The x- and y-directions are determined automatically '...
aripekka/pytakagitaupin
smatrix.py
Python
mit
4,871
[ "CRYSTAL" ]
ec90fa3242a998b4f19863e7948e40253f65f9ed93a94ffbcbccf82f5a604e66
# commands.py - command processing for mercurial # # Copyright 2005-2007 Matt Mackall <mpm@selenic.com> # # This software may be used and distributed according to the terms of the # GNU General Public License version 2 or any later version. from node import hex, nullid, nullrev, short from lock import release from i18...
iluxa-com/mercurial-crew-tonfa
mercurial/commands.py
Python
gpl-2.0
141,490
[ "VisIt" ]
613f2e4a3c100f75b2c92341db7aa74111eb615d072b69e471de770728237b8b
#! /usr/bin/env python import sys, csv from functools import partial e_cutoff = 1e-3 def printHelp(): sys.exit("NAME\n\treciprocalCompare: A tool for sorting through the results of a reciprocal blast.\nSYNOPSIS\n\treciprocalCompare --help\n\treciprocalCompare [-[|]e12] [-s] file1 file2 [outputfile]\nDESCRIPTION\n\...
mattsoulanille/Protein-reciprocal-compare
reciprocalCompare.py
Python
mit
4,727
[ "BLAST" ]
a711428801f71bf03f9bdbaaadc96eeacc557f63d3235862699c33179b088c43
from gpaw import GPAW from ase.structure import bulk from ase.dft.kpoints import ibz_points, get_bandpath import numpy as np si = bulk('Si', 'diamond', a=5.459) if 1: k = 6 calc = GPAW(kpts=(k, k, k), xc='PBE') si.set_calculator(calc) e = si.get_potential_energy() efermi = calc.get...
qsnake/gpaw
doc/exercises/band_structure/Si_guc.py
Python
gpl-3.0
1,475
[ "ASE", "GPAW" ]
c60def6a84ba09364713ca35100ba2a4a6e3078e7ffa7b7687f2a6f036f41861
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations class Migration(migrations.Migration): dependencies = [ ('whsites', '0002_auto_20150102_1905'), ('members', '0001_initial'), ] operations = [ migrations.AddField( ...
robjordan/unesco_project
unesco/members/migrations/0002_member_visits.py
Python
apache-2.0
494
[ "VisIt" ]
6fe79cf866c7ae01cfd05c878c7632c98c55edd7d6a65601f923eb8295d796de
#!/usr/bin/env python import sys import os import numpy as np from datetime import datetime """ Obtain a tight binding Hamiltonian of Haldane model with Wannier90 format How to run python haldane_hr_gen.py This will generate the tight binding hamiltonian Haldane_hr.dat LATTICE Angstrom 2.1377110 -1.2342080 0.00...
quanshengwu/wannier_tools
examples/Haldane_model/haldane_hr_gen-gapless.py
Python
gpl-3.0
3,153
[ "Wannier90" ]
faf21bc9b0bc4faa2ccedea1d668cb3a194ef83412355f65b4635b391f83521f
# # Copyright (C) 2017-2019 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...
espressomd/espresso
testsuite/python/rescale.py
Python
gpl-3.0
2,433
[ "ESPResSo" ]
954330782f1c337e824dde20d31c245f8d378a9bccf65fcdff81119150aeef86
"""User-friendly public interface to polynomial functions. """ from sympy.core import ( S, Basic, Expr, I, Integer, Add, Mul, Dummy, Tuple, Rational ) from sympy.core.mul import _keep_coeff from sympy.core.sympify import ( sympify, SympifyError, ) from sympy.core.decorators import ( _sympifyit, ) from ...
amitjamadagni/sympy
sympy/polys/polytools.py
Python
bsd-3-clause
155,247
[ "Gaussian" ]
ca816075a8fdd2e063d44e6a12dcd767c12c120d2e8f4bd91b0f6f796582f75b
from itertools import combinations_with_replacement import numpy as np from scipy import ndimage as ndi from scipy import stats from ..util import img_as_float from ..feature import peak_local_max from ..feature.util import _prepare_grayscale_input_2D from ..feature.corner_cy import _corner_fast from ._hessian_det_ap...
rjeli/scikit-image
skimage/feature/corner.py
Python
bsd-3-clause
26,730
[ "Gaussian" ]
2445f085ffe7626cff856681c66e3df05e1ecfe40a35b49711d2a04e18eacff2
#!/usr/bin/env python # -*- coding: utf-8 -*- # lm.py """ A python implementation of Levenberg–Marquardt. exposes a drop in replacement for scipy.curve_fit and allows the user to fit their function by maximizing the maximum likelihood for poisson deviates rather than for gaussian deviates, requires the jacobian to be ...
david-hoffman/dphutils
lm.py
Python
apache-2.0
23,083
[ "Gaussian" ]
14fd014102f56719ca5686adf83028a35542c1690d97d5edc961cfa75c30307a
#!/usr/bin/env python # NetView P v.0.7.1 - Windows # Dependencies: PLINK # Eike Steinig # Zenger Lab, JCU # https://github.com/esteinig/netview import os import time import json import shutil import argparse import subprocess import numpy as np import multiprocessing as mp import scipy.sparse.csgraph as csg import sc...
esteinig/netviewP
program/win/0.7.1/netview.py
Python
gpl-2.0
37,628
[ "Biopython" ]
20078e31b111eb7a69feeeabb90e73ca157addd89cce1bc7cc6e26b70b5cb9a2
# -*- coding: utf-8 -*- # Copyright (c) 2015 Audun Gravdal Johansen """ """ import numpy as np from struct import pack from base64 import b64encode from ..exceptions import VtkError # index arrays to reorder element connectivity - keys are SESAM element id's sesam2vtk_connectivity = {23 : np.array([0,2,1]), ...
agrav/freesif
freesif/utils/writers.py
Python
mit
7,490
[ "VTK" ]
b40463db336a93c2db32f9208d0ff8768cb84ac50092bc9190a20aceca3faf4a
#!/usr/bin/env python # -*- coding: utf-8 -*- import os from setuptools import setup import numpy # Version number version = '1.0' def read(fname): return open(os.path.join(os.path.dirname(__file__), fname)).read() setup(name = 'DGP', version = version, author = read('AUTHORS.txt'), author_ema...
zhenwendai/DeepGP
setup.py
Python
bsd-3-clause
1,434
[ "Gaussian" ]
f0562e6d9652ba362948d83753f29945093281238f66dacc9c3686078bd16c1c
""" Extensions to SQLAlchemy for altering existing tables. At the moment, this isn't so much based off of ANSI as much as things that just happen to work with multiple databases. """ import StringIO import sqlalchemy as sa from sqlalchemy.schema import SchemaVisitor from sqlalchemy.engine.default import Defa...
SohKai/ChronoLogger
web/flask/lib/python2.7/site-packages/migrate/changeset/ansisql.py
Python
mit
10,694
[ "VisIt" ]
9973ec7115304d222dfc7595345d035871e63505a6a02384c63316f2231a172c
import sys import os.path import scipy import numpy import partial_terms as pt import kernels from numpy.linalg.linalg import LinAlgError from scg_adapted import SCG_adapted D = 3 Q = 2 M = 10 N = {} Y = {} X_mu = {} X_S = {} Kmm = {} Kmm_inv = {} accumulated_statistics = {} flat_global_statistics_...
markvdw/GParML
scg_adapted-example.py
Python
bsd-3-clause
13,706
[ "Gaussian" ]
6fb70fdf0c180fcdc9691bb80980030f934411ff1ce31377c57dcd0d24358d10
#! /usr/bin/env python from openturns import * TESTPREAMBLE() RandomGenerator().SetSeed(0) aCollection = DistributionCollection(0); R = CorrelationMatrix(2) R[0, 1] = -0.99 aCollection.add( Normal([-1.0, 1.0], [1.0, 1.0], R) ) R[0, 1] = 0.99 aCollection.add( Normal([1.0, 1.0], [1.0, 1.0], R) ) # Instanciate one di...
dbarbier/privot
python/test/t_ExpertMixture_std.py
Python
lgpl-3.0
975
[ "MOE" ]
da6ccb60fcc96a5e1ab5a91824021fbd1c44d76a825b25fd888f5fe15842772c
#!/usr/bin/env python """ ugrid classes set of classes for working with unstructured model grids The "ugrid" class is the base class: it stores everything in memory It can read from and write to netcdf files in the UGRID format. It may be able to reference a netcdf file at some point, rather than storing directly ...
NOAA-ORR-ERD/gridded
gridded/pyugrid/ugrid.py
Python
unlicense
44,524
[ "NetCDF" ]
ba439e4bcdcccc6fcc28df7f58d14eb09da4cf9e0843d5c94d9e0666e7419ca0
# This is a Command Line SWD,BITS PILANI Searcher (Python) # Make sure you are connected on BITS,Pilani LAN. # Make Sure you are using LINUX # Run the Python FIle from the Terminal as : python swd_query.py from splinter import Browser import os,splinter def return_results(browser) : # Find and click t...
devenbansod/SWD-Query
swd-query.py
Python
gpl-2.0
2,302
[ "VisIt" ]
d0273637c753c551fabea703d6ecff71cfe0f9b767afdfadc444813c8450006e
"""annotate fusion outputs from STAR and Tophat Supported: oncofuse: http://www.unav.es/genetica/oncofuse.html github: https://github.com/mikessh/oncofuse """ from __future__ import print_function import os import pysam from bcbio.utils import file_exists from bcbio.distributed.transaction import file_transaction...
guillermo-carrasco/bcbio-nextgen
bcbio/rnaseq/oncofuse.py
Python
mit
7,201
[ "pysam" ]
a4a355fbc7d500dadf7f191b5ef2af84dd1aa3bef945d4fb7bdb5c873590e41f
# -*- coding: utf-8 -*- # Part of Odoo. See LICENSE file for full copyright and licensing details. """ Miscellaneous tools used by OpenERP. """ import cProfile import collections import datetime import hmac as hmac_lib import hashlib import io import os import pickle as pickle_ import re import socket import subproce...
rven/odoo
odoo/tools/misc.py
Python
agpl-3.0
54,452
[ "VisIt" ]
1d733e45291c7ec89d4e40f421f339e230fa371099a639a92567deef320e06eb
""" Copyright (c) 2009 John Markus Bjoerndalen <jmb@cs.uit.no>, Brian Vinter <vinter@nbi.dk>, Rune M. Friborg <rune.m.friborg@gmail.com>. See LICENSE.txt for licensing details (MIT License). """ import sys from pycsp_import import * elements = 64 @process def element(this_read, next_write): while True: ...
runefriborg/pycsp
examples/TokenRing.py
Python
mit
1,454
[ "Brian" ]
3b14d6540fc684b5aed441f54bf3338b7b2303e44f469763db782ac444e1aabc
""" CP decomposition by classic alternating least squares (ALS). Author: N. Benjamin Erichson <erichson@uw.edu> and Alex H. Williams """ import numpy as np from tensortools.operations import unfold, khatri_rao from tensortools.tensors import KTensor from tensortools.optimize import FitResult, optim_utils def ncp_b...
ahwillia/tensortools
tensortools/optimize/ncp_bcd.py
Python
mit
6,015
[ "Gaussian" ]
01d658cd440c3a89f5f0a4062947da44527a39a2aad385989360cd90cc651b7d
import unittest from pyramid import testing class TutorialViewTests(unittest.TestCase): def setUp(self): self.config = testing.setUp() def tearDown(self): testing.tearDown() def test_home(self): from tutorial.views import home request = testing.DummyRequest() res...
FedericoStra/pyramid_tutorial
07_views/tests/test_views.py
Python
mit
869
[ "VisIt" ]
43d62fe5635249bfc1bbd35e0354cf4ef3cf2f886df740afe333a3fa8c8d4aa1
#!/usr/bin/env python # -*- coding: utf-8 -*- # Copyright (c) 2016 # Author(s): # Thomas Leppelt <thomas.leppelt@dwd.de> # This file is part of sauventory. # Spatial Autocorrelated Uncertainty of Inventories # sauventory is free software: you can redistribute it and/or modify # it under the terms of the GNU Gener...
m4sth0/sauventory
tests/test_variogram.py
Python
gpl-3.0
13,270
[ "Gaussian" ]
45a9a11eb05e3160c3526184095c95ec16b84e90c224d2ffc703a72c4aad84e0
from brian import * class AbstractNeuronGroup(NeuronGroup): ''' Extends NeuronGroup to include additional methods ''' def get_parameters(self): '''Return a dictionary of parameter names and values''' raise NotImplementedError('Not implemented yet') def save_parameters(self, ou...
blennon/MLI_PKJ_net
MLI_PKJ_net/abstract_neuron_group.py
Python
mit
509
[ "Brian" ]
02e7e171fc4bddeb30eccb67d9b62a8d502f2c5c497ef2eb7805a7729ed3d3b8
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkBlankStructuredGridWithImage(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, ...
chrisidefix/devide
modules/vtk_basic/vtkBlankStructuredGridWithImage.py
Python
bsd-3-clause
544
[ "VTK" ]
66e646e4e3b758074ae7bed9a4f32cb1a7bec6a94fdaad83be089ec8fbe58e04
import sys import numpy as np import time import moose print('Using moose from %s' % moose.__file__ ) compt = moose.CubeMesh( '/compt' ) compt.volume = 1e-20 pools = [] for r in range( 10 ): a1 = moose.Pool( '/compt/a1%s' % r ) a1.concInit = 10 a2 = moose.Pool( '/compt/a2%s' % r ) a2.concInit = 5 ...
subhacom/moose-core
tests/python/test_ksolve.py
Python
gpl-3.0
1,677
[ "MOOSE" ]
06f594d2b51d42d405c739ea56cf602b0fdc6eb40588efba41eb3309a332f2f3
#!/usr/bin/env python3 # License MIT # Copyright 2016-2021 Alex Winkler # Version 3.0.0 wikibaseurl = 'https://liquipedia.net/' wikis = [ 'ageofempires', 'apexlegends', 'arenafps', 'arenaofvalor', 'artifact', 'autochess', 'battalion', 'battlerite', 'brawlstars', 'callofduty', 'clashroyale', 'commons', '...
FO-nTTaX/Liquipedia-Discord-Bot
ftsbot/data.py
Python
mit
2,734
[ "MOE" ]
9737b9d4c5721e91dc5835b26c8d2f0cea284cfba7ffffd94ebed239d394b22e
../../../../../../../share/pyshared/orca/scripts/apps/ekiga/script.py
Alberto-Beralix/Beralix
i386-squashfs-root/usr/lib/python2.7/dist-packages/orca/scripts/apps/ekiga/script.py
Python
gpl-3.0
69
[ "ORCA" ]
68a676fe914f9c00e236e33f39a055c69abb2b00e4140f9be0058b9106e7118b
# # 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/commoncode/fileutils.py
Python
apache-2.0
18,906
[ "VisIt" ]
90bbd276555c94cbe366651aa7b8ebffc1a070b27efef295490d39beb47ff647
# Copyright 2021 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
tensorflow/privacy
tensorflow_privacy/privacy/analysis/rdp_privacy_accountant.py
Python
apache-2.0
20,608
[ "Gaussian" ]
924c09bbfd4d8602085a9757a393353163b13baf743f7103832cfa95f7e43d96
"""Bayesian Gaussian Mixture Models and Dirichlet Process Gaussian Mixture Models""" from __future__ import print_function # Author: Alexandre Passos (alexandre.tp@gmail.com) # Bertrand Thirion <bertrand.thirion@inria.fr> # # Based on mixture.py by: # Ron Weiss <ronweiss@gmail.com> # Fabian Ped...
MechCoder/scikit-learn
sklearn/mixture/dpgmm.py
Python
bsd-3-clause
35,901
[ "Gaussian" ]
bddfe03e1ba3526cbbcc9aae9f1612d460a053726d248f1bec82288294b17452
import matplotlib matplotlib.use('Agg') import numpy as np import netCDF4 from datetime import datetime import pyroms import pyroms_toolbox import sys def create_HYCOM_file(name, time, lon, lat, var): #create netCDF file nc = netCDF4.Dataset(name, 'w', format='NETCDF3_64BIT') nc.Author = sys._getframe(...
dcherian/pyroms
examples/Arctic_HYCOM/get_hycom_GLBa0.08_ssh_2014.py
Python
bsd-3-clause
4,297
[ "NetCDF" ]
2f9d8da07c1c826296b7ea7efdd629fb542a5f3f194cbdc5067da87ab9b81b66
import numpy as np from ase.optimize.optimize import Optimizer class MDMin(Optimizer): def __init__(self, atoms, restart=None, logfile='-', trajectory=None, dt=None): Optimizer.__init__(self, atoms, restart, logfile, trajectory) if dt is not None: self.dt = dt d...
grhawk/ASE
tools/ase/optimize/mdmin.py
Python
gpl-2.0
986
[ "ASE" ]
0f3be96a2dc108cd79c1e4000ebf7b9d5d1659c315b605546e8069a02296d5ed
import logging import logging.config import struct import threading import traceback import signal from ambercommon.common import runtime import os from amberdriver.common import drivermsg_pb2 __author__ = 'paoolo' LEN_SIZE = 2 LOGGER_NAME = 'AmberPipes' pwd = os.path.dirname(os.path.abspath(__file__)) logging.c...
showmen15/testEEE
src/amberdriver/common/amber_pipes.py
Python
mit
6,730
[ "Amber" ]
c0121bcff2940868e7be54a741e2e0ad72812f59074721bd8465349754cec710
from __future__ import print_function, absolute_import, division from future.builtins import * from future import standard_library standard_library.install_aliases() # Copyright 2017 Autodesk Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with ...
Autodesk/molecular-design-toolkit
moldesign/interfaces/tleap_interface.py
Python
apache-2.0
12,300
[ "Amber", "NWChem" ]
002610ecf7e306763beca6adc57ba1eda0c4d93e113a1d6202bf8f3686177125
# Mask Module import numpy as np def mask_classic(center, r, shape): """Return the mask function in the image space I defined by shape (see MIS). The classic mask takes the center of a circle center = (xc,yc) and its radius r and put 1 if the image space is inside the circle and 0 outside. In addition, ...
slimpotatoes/STEM_Moire_GPA
src/mask.py
Python
bsd-3-clause
2,214
[ "Gaussian" ]
e4383c6d48d37259b50aa188b5fbe17adcd904fe6e65f627b2eaa727fdc109ab
# Copyright 2015 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
zlpmichelle/crackingtensorflow
cifar10/cifar10.py
Python
apache-2.0
14,729
[ "Gaussian" ]
88ac565279110f6b5a36ac41d0136b4f567f3fd18acda5473d0b6efaf49c294d
#!/usr/bin/python3 from __future__ import print_function from vizdoom import * import sys import threading import math from random import choice from time import sleep from matplotlib import pyplot as plt sys.path.append('../../deep_feedback_learning') import numpy as np import cv2 import deep_feedback_learning # ...
nlholdem/icodoom
ICO1/deep_feedback_learning_old/vizdoom/backprop1.py
Python
gpl-3.0
8,991
[ "NEURON" ]
96072eb3af3685288814fb3e7bfe3576f83c4e6c3f8614791ab2a8b419f2cf88
"""Labels PDB file with site entropies. To run this script, open ``pymol`` in the directory where the script is found. Then at the ``pymol`` command line type:: run entropy_label_PDB.py This script was written by Jesse Bloom, 2014.""" import mapmuts.io import mapmuts.bayesian def main(): """Main body of ...
jbloom/mapmuts
examples/WSN_HA_2014Analysis/entropy_label_PDB.py
Python
gpl-3.0
3,685
[ "PyMOL" ]
1cd2d35405b36bc603e4506cc71204a7c84096bcec5c313a67298ab3e7225905
import numpy as np from rdkit import Chem import os.path as osp from mastic.selection import CoordArray, IndexedSelection, Selection, \ GenericSelection from mastic.molecule import Bond, Molecule, Atom, \ MoleculeType, AtomType, BondType from mastic.interfaces.rdkit import RDKitMoleculeWrapper import mastic....
salotz/mast
prototypes/molecule_example.py
Python
mit
5,003
[ "RDKit" ]
513bba67ad258a571e804c4a2778a8c1b5b737112018bcdf1ae0b0414805f25d
from openbabel import OBMol, OBConversion, pybel import re inchi_validator = re.compile('InChI=[0-9]S?\\/') # This function only validates the first part. It does not guarantee # that the entire InChI is valid. def validate_start_of_inchi(inchi): if not inchi_validator.match(inchi): raise Exception('Inv...
OpenChemistry/mongochemserver
flask/openbabel/src/openbabel_api.py
Python
bsd-3-clause
3,803
[ "Open Babel", "Pybel" ]
f72408618243eddec47e5e18e70d3e9da9025b565b11c2e08d011bac5646ac48
# -*-python-*- # # Copyright (C) 1999-2006 The ViewCVS Group. All Rights Reserved. # # By using this file, you agree to the terms and conditions set forth in # the LICENSE.html file which can be found at the top level of the ViewVC # distribution or at http://viewvc.org/license-1.html. # # For more information, visit h...
foresthz/fusion5.1
www/scm/viewvc/lib/vclib/ccvs/rcsparse/texttools.py
Python
gpl-2.0
8,816
[ "VisIt" ]
370033af1c150e6582b28afaa5cacbc7fcbf1b1f38d9bebd66856f71ae59989d
############################################################################### # Implementation of kernel multi-view spectral algorithm of Song et al. (2014) # # Author: E.D. Gutierrez (edg@icsi.berkeley.edu) # Created: 24 March 2016 # Last modified: 29 March 2016 # # Sample usage: see knbTest.py. The main fun...
anapophenic/knb
kernelNaiveBayes.py
Python
cc0-1.0
16,306
[ "DIRAC", "Gaussian" ]
a01bf52fc35f05e86566a98fd1842e9ca66a58b18197b430c4b65b6be2879710
import sys import os import deepchem import tempfile, shutil import numpy as np import numpy.random from bace_datasets import load_bace from deepchem.utils.save import load_from_disk from deepchem.splits import SpecifiedSplitter from deepchem.data import Dataset from deepchem.hyper import HyperparamOpt from deepchem im...
bowenliu16/deepchem
examples/bace/bace_dnn.py
Python
gpl-3.0
4,706
[ "CRYSTAL" ]
69ffbddf7aef1ba1f702f153c1eb708c5df89d42e227d68cc2c88a13c7faa287
from __future__ import unicode_literals from test import TestCase from web import app from db import session, User from nose.tools import eq_ class TestSignup(TestCase): def test_sign_up(self): app.test_client().post('/', data={'email': 'andrew@lorente.name'}) users = session().query(User.email)...
ErinCall/splinter_demo
flask/test/test_signup.py
Python
mit
1,095
[ "VisIt" ]
102cdbc3a85a41bba14ace69b329a323147333a9e03f094833be847bef7edbe3
#!/usr/bin/env python from itertools import groupby import os import re import sys from bokeh.io import output_file, show, save from bokeh.layouts import gridplot, column from bokeh.models import Range1d, ColumnDataSource, HoverTool, CrosshairTool from bokeh.palettes import Category20, brewer, viridis from bokeh.plot...
ricardog/raster-project
attic/hpd-check.py
Python
apache-2.0
7,605
[ "NetCDF" ]
9a046499fac20fc28849f5db0e5aa25ca63bbc6d36ae194d3bd20bffb6b5a063
#!/usr/bin/env python3 # -*- coding: utf-8 -*- # vim:fenc=utf-8 # # Copyright © 2016 Johnathan "Shaggytwodope" Jenkins <twodopeshaggy@gmail.com> # # Distributed under terms of the GPL2 license. import os import sys import urllib.request import webbrowser import subprocess import fcntl import tkinter from configparser ...
linuxlite/litecontrolcenter
usr/share/litecc/lite-controlcenter.py
Python
gpl-2.0
15,981
[ "Brian" ]
19a89de19b09c4dfb52fa1d5ae27c4554ee925b00b89b1005fe74ea123da873a
# -*- coding: utf-8 -*- """ This file contains methods for lorentzian-like fitting, these methods are imported by class FitLogic. Qudi 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 Licen...
drogenlied/qudi
logic/fitmethods/lorentzianlikemethods.py
Python
gpl-3.0
32,566
[ "Gaussian" ]
5b170faf03680df9f1f43972961c9688380bf6c4bea98d0df75389e5abf9a81e
import numpy as np import warnings import GPy def get_slices(input_list): num_outputs = len(input_list) _s = [0] + [ _x.shape[0] for _x in input_list ] _s = np.cumsum(_s) slices = [slice(a,b) for a,b in zip(_s[:-1],_s[1:])] return slices def build_XY(input_list,output_list=None,index=None): n...
ptonner/GPy
GPy/util/multioutput.py
Python
bsd-3-clause
3,588
[ "Gaussian" ]
014331d664d31bbbe9b612f02bc782c15ac1aa134ce35a867ba7955b7c94a9be
# ----------------------------------------------------------------------------- # Copyright (c) 2016+ Buro Petr van Blokland + Claudia Mens & Font Bureau # www.pagebot.io # # P A G E B O T # # Licensed under MIT conditions # Made for usage in DrawBot, www.drawbot.com # ------------------------------...
JaspervanBlokland/SandyApp
src/Toon/CartierMagazine_800_1018.py
Python
mit
9,078
[ "VisIt" ]
5a94e625c5887858cb87e16cd7d3b4ff7d3c56fb335761b262c412b95a15e051
from django.apps import AppConfig class ColumbusConfig(AppConfig): name = "pyedf" verbose_name = "Columbus Workflow Engine" def ready(self): pass
jkachika/columbus
pyedf/apps.py
Python
mit
169
[ "COLUMBUS" ]
8cbfde46546e6d306e2dd16d654477709ce45bdf6096189df1e2e020396dfb41
""" Function-like objects that creates cubic clusters. """ import numpy as np from ase.cluster.cubic import FaceCenteredCubic from ase.cluster.compounds import L1_2 def Octahedron(symbol, length, cutoff=0, latticeconstant=None, alloy=False): """ Returns Face Centered Cubic clusters of the octahedral class de...
grhawk/ASE
tools/ase/cluster/octahedron.py
Python
gpl-2.0
1,805
[ "ASE" ]
998bfc7a92be91a4076f9d1ddff9d8a8384ce84d5b5282cc64ede395b1c3c236
import cython cython.declare(PyrexTypes=object, Naming=object, ExprNodes=object, Nodes=object, Options=object, UtilNodes=object, ModuleNode=object, LetNode=object, LetRefNode=object, TreeFragment=object, TemplateTransform=object, EncodedString=object, error=ob...
larsmans/cython
Cython/Compiler/FlowControl.py
Python
apache-2.0
42,195
[ "VisIt" ]
bcc1e088d1b61f88f3013c63ade1d905a6149a5cd922f28f7fdaf2cb1fa88676
# -*- coding: utf-8 -*- ''' Python Client for MyVariant.Info services ''' from __future__ import print_function import sys import time import requests import json try: from pandas import DataFrame df_avail = True except: df_avail = False __version__ = '2.2.1' if sys.version_info[0] == 3: str_types = s...
SuLab/fiSSEA
myvariant/src/myvariant.py
Python
apache-2.0
16,425
[ "CDK" ]
e2994f0f1f22a8605a8062f3435f5f4a753bfd36d9c458fcf895d0790a6eea39
# Kevin van Rensburg 11/20/2021 # Copyright 2001 # Testing Startup Script version 0.19 # kstart19.py # Working on Kvep8. # added def's ALL(), ALI(), COMCODE(), core(), cipl() and AnotherCode(). # Adding rd(), Or(),bfot(),srr(),cft(),st(),ct(),rat(),wst(),fep(), esot(),seor() # fixed, reworked, and added scipt to Kvep8 ...
kurg/KendyVerse
kstart19.py
Python
gpl-3.0
96,038
[ "BLAST" ]
0e2a2efb1de759c686efe445f92b8485baa9859c30c88295ee5f61bf012ae2dd
#!/usr/bin/env python '''Tree View/Tree Store The GtkTreeStore is used to store data in tree form, to be used later on by a GtkTreeView to display it. This demo builds a simple GtkTreeStore and displays it. If you're new to the GtkTreeView widgets and associates, look into the GtkListStore example first.''' # pygtk ve...
chriskmanx/qmole
QMOLEDEV/pygtk-2.16.0/examples/pygtk-demo/demos/tree_store.py
Python
gpl-3.0
11,036
[ "COLUMBUS" ]
1e15c506b364f8d5dda6bb89a799cc7ccd8715b14e618d925f22f05a4551b024
from paraview.simple import * from paraview import smtesting smtesting.ProcessCommandLineArguments() s = Sphere() c =Cone(Resolution=10) GroupDatasets(Input=[s,c]) GenerateIds() r = Show() r.ColorArrayName = None SelectCells("Ids > 2") RenderView1 = Render() if not smtesting.DoRegressionTesting(RenderView1.SMProxy):...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/ParaViewCore/ServerManager/Default/Testing/Python/PythonSelection.py
Python
gpl-3.0
388
[ "ParaView", "VTK" ]
5ada78295dcc5311705b736ab5d7412456a625f9404ba6915ba12865d8e5b22d
#!/usr/bin/env python __author__ = 'Mike McCann' __copyright__ = '2011' __license__ = 'GPL v3' __contact__ = 'mccann at mbari.org' __doc__ = ''' Loader for all 2011 Dorado missions written for loading Vrijenhoek Lab SubSamples from Julio Mike McCann MBARI 15 January 2013 @var __date__: Date of last svn commit...
josephmfaulkner/stoqs
stoqs/loaders/MolecularEcology/load_dorado2011.py
Python
gpl-3.0
4,961
[ "NetCDF" ]
6303f1a7d442887508276e980846f089c735bd8456861ba08df1d372cd850499
#!/usr/bin/env python #! -*- coding: utf-8 -*- """ setup.py - rhaptos2.repo package setup Author: Paul Brian (C) 2012 Rice University This software is subject to the provisions of the GNU Lesser General Public License Version 2.1 (LGPL). See LICENSE.txt for details. """ from setuptools import setup, find_packages...
philschatz/rhaptos2.repo
setup.py
Python
lgpl-2.1
1,739
[ "Brian" ]
80206f2e5cf290a6c60e51f229aca5f57c2bbf415cdeb380ee6c684d6ec45f45
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2017 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 #...
rmcgibbo/psi4public
psi4/driver/qcdb/psivarrosetta.py
Python
lgpl-3.0
18,416
[ "Psi4" ]
ad389ba82e4db63a7197cff5d2379f957e247281e5081f256df5facff5eb307b
''' demo9.py Demo of a network of spiking neurons driven by synaptic inputs. Written by Sungho Hong, Computational Neuroscience Unit, OIST, 2017 ''' from neuron import h, gui h.load_file("stdrun.hoc") h.load_file("CNSutils.hoc") # The simulation will run for 100 ms. h.tstop = 200 # Global sampling period will be 0...
shhong/a310_cns_2017
Practice_4/demo9.py
Python
gpl-3.0
3,151
[ "NEURON" ]
f61bc9d40dfd754b124789d79b35476672bbb6e4ef0a633ef63a9c4fc02e8e0c
''' Source code for an attention based image caption generation system described in: Show, Attend and Tell: Neural Image Caption Generation with Visual Attention International Conference for Machine Learning (2015) http://arxiv.org/abs/1502.03044 Comments in square brackets [] indicate references to the equations/ mo...
lakehanne/ensenso
ensenso_detect/manikin/utils/capgen.py
Python
mit
56,722
[ "Gaussian" ]
fffaa8a5727ec3ed4329c120b6b28b9c2e65ecbd37667a1dcf17b6261c51acb8
#!/usr/bin/env python """ Integrate a surface field """ from __future__ import print_function import argparse import time import os import re import sys from icqsol.shapes.icqShapeManager import ShapeManager from icqsol import util # time stamp tid = re.sub(r'\.', '', str(time.time())) parser = argparse.ArgumentPa...
gregvonkuster/icqsol
examples/integrateSurfaceField.py
Python
mit
1,827
[ "VTK" ]
8529116983e759e249711bc9f7151c3cff269b1fb3e7da9113af1e07553d5e39
import cv2 import matplotlib.pyplot as plt import numpy as np import UltraLibrary as ul from FrameType import f_type def hist_despeckle(img,goodImg): dsimg, homog = quickieHomo(img) return ul.filtered_match(img,dsimg,goodImg) def detection(im): detector = cv2.SimpleBlobDetector_create() # D...
KristopherJH/ENGI7854US
Despeckle.py
Python
gpl-3.0
10,592
[ "Gaussian" ]
570e853f38dc10ff67ecf72a8d98812a80c19dcddd4eb32f7c607e806603d184
#!/usr/bin/env python """ MultiQC module to parse output from HTSeq Count """ from __future__ import print_function from collections import OrderedDict import logging from multiqc import config from multiqc.plots import bargraph from multiqc.modules.base_module import BaseMultiqcModule # Initialise the logger log =...
ahvigil/MultiQC
multiqc/modules/htseq/htseq.py
Python
gpl-3.0
4,258
[ "HTSeq" ]
a2e98cc34b98a647be479cb0bd064b793ac5c98abf6005bceb9de88552a2d53f
# Copyright 2008 by Michiel de Hoon. 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. """Parser for XML results returned by NCBI's Entrez Utilities. This parser is used by the re...
LyonsLab/coge
bin/last_wrapper/Bio/Entrez/Parser.py
Python
bsd-2-clause
21,089
[ "Biopython" ]
ab2bd0e220bc062f305b307b1172837d7b3cade075453db44636315ef4d8f4ae
# coding: utf-8 from __future__ import unicode_literals, division, print_function import os import tempfile from pymatgen.util.testing import PymatgenTest from pymatgen.io.abinitio.abiinspect import * #test_dir = os.path.join(os.path.dirname(__file__), "..", "..", "..", "..", 'test_files') class YamlTokenizerTest...
Dioptas/pymatgen
pymatgen/io/abinitio/tests/test_abiinspect.py
Python
mit
2,376
[ "pymatgen" ]
3e1d2af3a6bedd9a1dad6f18372bdee2ea9ed8ead49f22865ee8721c5cbc7170
# -*- coding: utf-8 -*- u"""SRW execution template. :copyright: Copyright (c) 2015 RadiaSoft LLC. All Rights Reserved. :license: http://www.apache.org/licenses/LICENSE-2.0.html """ from __future__ import absolute_import, division, print_function from pykern import pkcompat from pykern import pkio from pykern.pkcollec...
radiasoft/sirepo
sirepo/template/srw.py
Python
apache-2.0
87,600
[ "CRYSTAL", "VTK" ]
a7e942a2e9e8391116b520e8b5121e9aeb215c180febcf922a1924372fa69853
# # Copyright (C) 2010, 2015, 2016, 2017, 2018, 2019, 2020, 2021 # Smithsonian Astrophysical Observatory # # # 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,...
anetasie/sherpa
sherpa/astro/ui/utils.py
Python
gpl-3.0
574,542
[ "Gaussian" ]
f4d2687b9668c344f9383da939e84b0eb482a7658be13c718dfb5e53c0beadec
# Copyright 2017 The Forseti Security Authors. All rights reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by ap...
forseti-security/forseti-security
google/cloud/forseti/services/inventory/base/resources.py
Python
apache-2.0
115,431
[ "VisIt" ]
c74bd69f0762fca1082b9f7f8139eb8d37fde9c7c56608d66dc3d014a679a70b
import pysal as ps import json from six.moves import urllib as urllib import copy import numpy as np """ Weights Meta Data Prototyping meta data functions and classes for weights provenance Based on Anselin, L., S.J. Rey and W. Li (2014) "Metadata and provenance for spatial analysis: the case of spatial weights." I...
schmidtc/pysal
pysal/meta/wmd.py
Python
bsd-3-clause
14,443
[ "COLUMBUS" ]
cc9af17ca7d4f6b0511aa7aa4f4c1aff347e6f3b30d28531372a4e4a72a0b351
# See http://ipython.org/ipython-doc/1/interactive/public_server.html for more information. # Configuration file for ipython-notebook. import os c = get_config() c.NotebookApp.ip = '0.0.0.0' c.NotebookApp.port = 6789 c.NotebookApp.open_browser = False c.NotebookApp.profile = u'default' c.IPKernelApp.matplotlib = 'inli...
bgruening/docker-ipython-notebook
ipython_notebook_config.py
Python
mit
1,063
[ "Galaxy" ]
0151960767a4bf315d85464a99ec4241e2cbbc1410412c58a1bf0cbf93c6879b
# -*- coding: utf-8 -*- """ Module for functions for mito network normalization @author: sweel_rafelski """ import os import os.path as op import vtk import vtk.util.numpy_support as vnpy from numpy import ceil, mean, percentile # pylint: disable=C0103 datadir = op.join(os.getcwd()) def vtk_read(fpath, readertype='vt...
moosekaka/sweepython
pipeline/pipefuncs.py
Python
mit
6,347
[ "VTK" ]
c73b3cddea4567036e7f76a2a8f51924d9a7046b6b4e1f5706ae36659a70980d
#!/usr/bin/env python # -*- coding: utf-8 -*- import os import sys import math import os.path as op import numpy as np import argparse orgs = """HM101 HM058 HM125 HM056 HM129 HM060 HM095 HM185 HM034 HM004 HM050 HM023 HM010 HM022 HM324 HM340 HM056.AC HM034.AC HM340.AC""".split() dirw = "/home/youngn/zh...
orionzhou/robin
old/gene.cluster.py
Python
gpl-2.0
3,707
[ "BLAST" ]
494702ccef65322c6f1e1a96ea35fcdcd51366a93928ddb8fef5af020da5384a
############################################################################## # 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-minfi/package.py
Python
lgpl-2.1
3,058
[ "Bioconductor" ]
e3ad9a226dc0ee839de183f9c3f1dbcf70bd119482e361c88a800dbc1246d935
#!/usr/bin/env python # ---------------------------------------------------------------------------- # Copyright 2015 Nervana Systems Inc. # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # ...
nhynes/neon
examples/mnist_mlp.py
Python
apache-2.0
3,473
[ "Gaussian" ]
8eac18aeb7a5194addbb5712a2c0afbfcb83c0ae9a6cd7e4f12bdf4ffecaebf4
#!/usr/bin/env python """Copyright 2010 Phidgets Inc. This work is licensed under the Creative Commons Attribution 2.5 Canada License. To view a copy of this license, visit http://creativecommons.org/licenses/by/2.5/ca/ """ __author__ = 'Adam Stelmack' __version__ = '2.1.8' __date__ = 'May 17 2010' #Basi...
danielsuo/mobot
src/move/Python/InterfaceKit-simple.py
Python
mit
4,650
[ "VisIt" ]
0e2af7f6c748dad8839486cca15987759e46847168ded07434762c012c51b88a
#!/usr/bin/env python ''' Before running any steps in the pipeline, check your data to see if the fastq input is in Illumina 1.3-1.7 format, specificially that * the @ line follows the format @stuff:with:colons#BARCODE/1 (or /2 for reverse reads) * the quality line uses Sanger encoding (ascii offset 64, high s...
almlab/SmileTrain
check_fastq_format.py
Python
mit
4,174
[ "Biopython" ]
30b1baf1d470acdcebbfcd4c4658a694b39ee96d4f3738a574092d391b92a0d7
# # Licensed to the Apache Software Foundation (ASF) under one or more # contributor license agreements. See the NOTICE file distributed with # this work for additional information regarding copyright ownership. # The ASF licenses this file to You under the Apache License, Version 2.0 # (the "License"); you may not us...
RyanSkraba/beam
sdks/python/apache_beam/pipeline_test.py
Python
apache-2.0
29,620
[ "VisIt" ]
f3080d5ecb73aa2400a813e037e2152139523378e1bb3eda6c2b2efad47eb2c0
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.conf import settings from django.conf.urls import include, url from django.conf.urls.static import static from django.contrib import admin from django.views.generic import TemplateView from django.views import defaults as default_views urlpat...
BCriswell/crud-fusion
config/urls.py
Python
bsd-3-clause
1,315
[ "VisIt" ]
d21abd9c4db038d94bc8b56bc4487b4e0e5462556d9ba9b46958f67eae7f8cbb
#!/usr/bin/env python ''' Optimize molecular geometry within the environment of QM/MM charges. ''' import numpy from pyscf import gto, scf, cc, qmmm mol = gto.M(atom=''' C 1.1879 -0.3829 0.0000 C 0.0000 0.5526 0.0000 O -1.1867 -0.2472 0.0000 H -1.9237 0.3850 0.0000 H 2.0985 0.2306 ...
gkc1000/pyscf
examples/geomopt/10-with_qmmm.py
Python
apache-2.0
970
[ "PySCF" ]
2e9bce58d5a33a3e62d44c1a06e19db84dda3e3225baf07a6fa3b7d47401fc18
""" ========================================== Statistical functions (:mod:`scipy.stats`) ========================================== .. module:: scipy.stats This module contains a large number of probability distributions as well as a growing library of statistical functions. Each included distribution is an instanc...
ygenc/onlineLDA
onlineldavb_new/build/scipy/scipy/stats/__init__.py
Python
gpl-3.0
8,519
[ "Gaussian" ]
0ce6a304441bf0f626c7883e53947b0db1cd5762641287d49df5b99a6a27acd5
""" Linear Discriminant Analysis and Quadratic Discriminant Analysis """ # Authors: Clemens Brunner # Martin Billinger # Matthieu Perrot # Mathieu Blondel # License: BSD 3-Clause from __future__ import print_function import warnings import numpy as np from scipy import linalg from .extern...
valexandersaulys/airbnb_kaggle_contest
venv/lib/python3.4/site-packages/sklearn/discriminant_analysis.py
Python
gpl-2.0
28,413
[ "Gaussian" ]
6efeb148d467125367c022ad84ad2ccb6fe2b884a524660e22fad1fb20f5895a
""" Utility for prompting users """ from DIRAC import S_OK, S_ERROR def promptUser( message, choices = [], default = 'n', logger = None ): """ Prompting users with message, choices by default are 'y', 'n' """ if logger is None: from DIRAC import gLogger logger = gLogger if not choices: choices = ...
andresailer/DIRAC
Core/Utilities/PromptUser.py
Python
gpl-3.0
1,398
[ "DIRAC" ]
06bd35052f28e7408167f36696b165ae889d49d5d9945d384779513617a12f11
# PyParticles : Particles simulation in python # Copyright (C) 2012 Simone Riva # # 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 late...
simon-r/PyParticles
pyparticles/utils/pypart_global.py
Python
gpl-3.0
2,638
[ "VisIt" ]
f31bf3f2fb0ba6179dcb72c1a9fcbfef390089da240cddabb41e2b78c9971347