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import os import subprocess import unittest class Calculation: def __init__(self, **settings): self.structure = os.path.join(os.path.dirname(os.path.realpath(__file__)), settings['structure']) self.method = settings['method'] self.molecular_charge = settings['molecular_charge'] sel...
qcscine/sparrow
src/Sparrow/Tests/AppTests/test_sparrow.py
Python
bsd-3-clause
25,445
[ "MOPAC" ]
e1e44733b314622063dced864ecaa96fe096ecda5ce1035fffbf8b6c72a43c2a
#!/usr/bin/env python2.5 from Bio import AlignIO import Bio.PDB from optparse import OptionParser import sys import array from rosettautil.protein import util from rosettautil.protein import alignment from rosettautil.protein import pdbStat from rosettautil.util import fileutil def list_to_generator(list): for x ...
decarboxy/py_protein_utils
scripts/thread_pdb_from_alignment.py
Python
mit
7,756
[ "Biopython" ]
d2e81f296b95eae0478e25e77dd4772b2228d0f962a0963e9dbd0dfd0669e6d4
#!/usr/bin/env python # -*- coding: iso-8859-1 -*- # # Impressive, a fancy presentation tool # Copyright (C) 2005-2010 Martin J. Fiedler <martin.fiedler@gmx.net> # portions Copyright (C) 2005 Rob Reid <rreid@drao.nrc.ca> # portions Copyright (C) 2006 Ronan Le Hy <rlehy@free.fr> # portions Copyright (C) 2007 Luke Campag...
leeper/Impressive
impressive.py
Python
gpl-2.0
166,549
[ "VisIt" ]
bf17cf4f7fd9da01c2a37229e4c0d6dd22707f970a8432792ac7e381cb954208
import numpy as np try: import Numeric as num except ImportError: pass else: def npy2num(a, typecode=num.Float): return num.array(a, typecode) if num.__version__ <= '23.8': #def npy2num(a, typecode=num.Float): # return num.array(a.tolist(), typecode) def npy2num(a, typ...
grhawk/ASE
tools/ase/old.py
Python
gpl-2.0
6,716
[ "ASE" ]
c0bd88cb59d315009468d154bd000430d4a3609dfff81c9f6264970e8e19cecf
# Copyright (C) 2003-2005 Peter J. Verveer # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions # are met: # # 1. Redistributions of source code must retain the above copyright # notice, this list of conditions and the following d...
jrversteegh/softsailor
deps/scipy-0.10.0b2/scipy/ndimage/tests/test_ndimage.py
Python
gpl-3.0
204,064
[ "Gaussian" ]
fe70054cb0b9fbfe58eb9caa587a1c3484c1138281e32507a5243792659ee344
# -*- coding: utf-8 -*- """ This script reproduces the results for Figure 7, analyzing 1p microendoscopic data using the CaImAn implementation of the CNMF-E algorithm. The algorithm using both a patch-based and a non patch-based approach and compares them with the results obtained from the MATLAB implementation. More ...
agiovann/Constrained_NMF
use_cases/eLife_scripts/Figure_7-1p_striatum.py
Python
gpl-2.0
7,274
[ "Gaussian", "NEURON" ]
7d21aa2eff376979379a2fbf94f4b4e6c7c595777c39102c4b67305d2f4e0666
"""Test module for Dashboard UI :Requirement: Dashboard :CaseAutomation: Automated :CaseLevel: Acceptance :CaseComponent: UI :TestType: Functional :CaseImportance: High :Upstream: No """ from nailgun import entities from nailgun.entity_mixins import TaskFailedError from pytest import raises from requests.excepti...
sghai/robottelo
tests/foreman/ui_airgun/test_dashboard.py
Python
gpl-3.0
12,773
[ "VisIt" ]
72df51051e067e4ea90ba045d554366994101f966ee48d259685cb80f3f5fbc2
""" Script for multi channel classifications. see also: multichannel_classifier - business logic for multichannel classifiers """ import argparse import logging import os import pickle import datetime import numpy as np from config import BED_GRAPH_RESULTS_DIR, MEAN_DNASE_DIR, MODELS_DIR from data_provider impor...
eranroz/dnase
src/multichannel_classify.py
Python
mit
7,126
[ "Gaussian" ]
da9c7920329a67fcda66437910fac3fd0d3cb4bb1e1a4c4ff4a3264883b0a7aa
from taj.exception import IllegalCondition from taj.operator.join import BinaryJoin from taj.operator.table import RelationProxy from taj.operator.window import TimedWindowOperator, AmountWindowOperator from taj.parser.visitor import LogicVisitor, ExpressionVisitor, QueryVisitor class JoinBuilder(QueryVisitor): ''...
david-furminieux/movingForest
src/taj/operator/visit.py
Python
lgpl-3.0
3,420
[ "VisIt" ]
a07f48aaf66e82667ec575423d11e2577456769174dbee9f93cb72761233e32a
# # @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/inputparser.py
Python
lgpl-3.0
31,243
[ "CFOUR", "Psi4" ]
83971cd16e7cfe5a14182880dd154db0bb87f22057154be012e6b0e585a342ee
""" Views for user API """ from django.shortcuts import redirect from django.utils import dateparse from rest_framework import generics, views from rest_framework.decorators import api_view from rest_framework.response import Response from opaque_keys.edx.keys import UsageKey from opaque_keys import InvalidKeyError ...
jswope00/griffinx
lms/djangoapps/mobile_api/users/views.py
Python
agpl-3.0
9,137
[ "VisIt" ]
f7b9c999adedb516e4543f50490419d3a5601331ff496068c43143ff4c0c1c62
import os import numpy as np from time import time from ase import molecule from gpaw import GPAW from gpaw.lcao.projected_wannier import ProjectedWannierFunctions, get_phs if not os.path.isfile('C6H6.gpw'): atoms = molecule('C6H6') atoms.center(vacuum=2.5) calc = GPAW(h=0.2, basis='szp', width=0.05, con...
qsnake/gpaw
oldtest/pwftest_C6H6.py
Python
gpl-3.0
1,689
[ "ASE", "GPAW" ]
6581885c6e5f57adc8174031990b29bf16ea014ef1a91a1ad173ce5644a931eb
import numpy as np from ase import Atoms from vtk import vtkOutlineSource, vtkAxesActor, vtkProperty2D, vtkTextProperty from ase.visualize.vtk.module import vtkModule, vtkPolyDataModule # ------------------------------------------------------------------- class vtkUnitCellModule(vtkPolyDataModule): def __init_...
suttond/MODOI
ase/visualize/vtk/cell.py
Python
lgpl-3.0
4,067
[ "ASE", "VTK" ]
7760f0920476d7e0108f783704e18a6cffd5380a39fa9070c5d4284f6443267a
from __future__ import print_function import MDAnalysis.analysis.psa from MDAnalysis import SelectionError, SelectionWarning, FinishTimeException from numpy.testing import * import numpy as np import nose from nose.plugins.attrib import attr import os import shutil import errno import tempfile import itertools import...
sseyler/PSAnalysis
tests/test_psa.py
Python
gpl-3.0
2,620
[ "MDAnalysis" ]
b94e294aab30d64b40d0045d096f192bc828ce87b24ab8429959565291d7284e
#!/usr/bin/env python #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% #einit #Essential Pathways v1.0.1 #Author:realasking #Email:realasking@gmail.com,tomwangsim@163.com #Aug-23,2017,in USTB #%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% import sys import os import r...
realasking/essential-pathway
build/lib/epw/einit.py
Python
lgpl-3.0
1,502
[ "EPW" ]
46e7e3127cca89e93f945b11ebe64246956009a273700b0a316c6a7abb947dca
""" Utilities to process parametric job definitions and generate bunches of parametric jobs. It exposes the following functions: getParameterVectorLength() - to get the total size of the bunch of parametric jobs generateParametricJobs() - to get a list of expanded descriptions of all the jobs """ __RCSID_...
hgiemza/DIRAC
WorkloadManagementSystem/Utilities/ParametricJob.py
Python
gpl-3.0
6,881
[ "DIRAC" ]
47390a18506febd0f03157ab6330afb7e9e43a69006e255c49e2c5261c736c93
import numpy as np import matplotlib.pyplot as plt import matplotlib.ticker as ticker x = np.arange(1,100.)/50. def weib(x,u,a,y): # http://www.itl.nist.gov/div898/handbook/eda/section3/eda3668.htm # x >= u, x is vector # y,a > 0 # y: shape parameter # u: location parameter # a: scale paramete...
paztronomer/kepler_tools
weibull_v01.py
Python
mit
2,461
[ "Gaussian" ]
703ee8b75a7b83210d306e5a3a9577b99fc463549298992ac2af9d3d79a11f14
from __future__ import division from scipy import * from scipy import stats import pylab p_o = 0.5 q_o = 1 - p_o z_alpha = 1.96 As = [1,1.25,2,5,10,100] legend_val = "" for A in As: p_a = A/(A + 1) q_a = 1 - p_a betas = [] ns = xrange(1,500,1) for n in ns: z_beta = (p_o + z_alpha*sqrt(p_o*q_o/n) - p_a)/sqrt(p...
polarise/RP-python
allelic_power.py
Python
gpl-2.0
831
[ "ASE" ]
2caeb5f8867d46c18a3c216e321ce4447d44810ea8346f32171f0bc00a704ec3
import json import socket from .url_config import URLS from .util import kbase_env """ A simple ELK stack logger for a few Narrative events. """ # TODO: # * add more log events (or generalize further. don't much like using magic strings, tho) # * TESTS # * local log testing mode, for when we point this to the prod lo...
pranjan77/narrative
src/biokbase/narrative/common/narrative_logger.py
Python
mit
1,878
[ "Elk" ]
8ae7992773cc910ccea1b57010e198574bdaf24257224c271c3fb71631308d2c
# -*- coding: utf-8 -*- """ Tutorials / radar cross section of a metal sphere Tested with - python 3.4 - openEMS v0.0.34+ (C) 2016 Thorsten Liebig <thorsten.liebig@gmx.de> """ ### Import Libraries import os, tempfile from pylab import * from CSXCAD import ContinuousStructure from openEMS import openEMS from...
thliebig/openEMS
python/Tutorials/RCS_Sphere.py
Python
gpl-3.0
3,415
[ "Gaussian" ]
d3066216909429533ac4d7eecf2555860c34ff36851363b3daa2b44ce04cc415
#!/usr/bin/env python """ sa.py Parse and possibly sanity-check a .sa file output by bowtie2-build in --sa mode. These files have a very simple format: first is a uint32_t containing the length of the suffix array, the rest is an array of that many uint32_ts containing the suffix array. """ import sys import struct...
roryk/hisat2
scripts/sa.py
Python
gpl-3.0
2,156
[ "Bowtie" ]
586f1480099df861c04c90377bda39351ec047703ee6f66cb669d4b83cec1bac
""" Generate StyledLayerDescriptor objecs for django querysets. This generator uses the python-sld and pysal libraries to generate classes for map classification, and returns a StyledLayerDescriptor class object. This class object may be serialized to an SLD XML file, which is useful for many GIS and mapping software ...
azavea/django-sld
djsld/generator.py
Python
apache-2.0
16,053
[ "VisIt" ]
d5eda32711f33346eac07f47298408182bf6bf17171c5a3e152a09ec03e8c0a8
""" Generate samples of synthetic data sets. """ # Authors: B. Thirion, G. Varoquaux, A. Gramfort, V. Michel, O. Grisel, # G. Louppe, J. Nothman # License: BSD 3 clause import numbers import array import numpy as np from scipy import linalg import scipy.sparse as sp from ..preprocessing import MultiLabelBin...
vortex-ape/scikit-learn
sklearn/datasets/samples_generator.py
Python
bsd-3-clause
58,736
[ "Gaussian" ]
561170a867b3681ac7e18a4c99b8df27f8be8134184e91385dd9309466dd7649
import numpy as np from scipy.optimize import curve_fit from .functions import gaussian class Analyzer: def __init__(self, data): self.data = data def determine_energy_window(self, sigma_window=(7, 7)): good_detectors = self.data.adc[16:] central_det, index = self._find_best_detect...
mmoran0032/pyne
sap/analyze.py
Python
mit
1,953
[ "Gaussian" ]
92d58b54335510bdae1e9b1c653d703e6ad3ed2c89c64d3c8a9e493da6350f68
# Copyright (c) 2015, Frappe Technologies Pvt. Ltd. and Contributors # License: GNU General Public License v3. See license.txt from __future__ import unicode_literals import frappe from frappe.utils import add_days, getdate, cint from frappe import throw, _ from erpnext.utilities.transaction_base import TransactionB...
gangadhar-kadam/verve_test_erp
erpnext/support/doctype/maintenance_schedule/maintenance_schedule.py
Python
agpl-3.0
9,561
[ "VisIt" ]
69fca4ac0a60cc7972f2a764c1964a44e90aa74d62cd01ae1902ab797746c34e
""" this simple program describes the basic concept of DFS. it takes input of nodes & edges and prints the traversal routes. """ graph = [] # list to store 2D graph parent = [] # list to store parent visit = [] # list to check if visited or not def dfs(u): global parent # global access to edit gl...
ahmadalsajid/PythonNotes
DFSImplementation.py
Python
mit
1,308
[ "VisIt" ]
fce0fc23f9e8af364f362b0a76969e12f889b9646e2ce7280c491cdb87d74671
# coding=utf-8 from __future__ import unicode_literals from ..person import Provider as PersonProvider class Provider(PersonProvider): formats = ( '{{first_name}} {{last_name}}', '{{first_name}} {{last_name}}', '{{first_name}} {{last_name}}', '{{first_name}} {{last_name}}', ...
DonHilborn/DataGenerator
faker/providers/no_NO/person.py
Python
mit
7,706
[ "MOE" ]
62cb338d951d5e01e3854938e7c25a4b1bc16480f29adc55d85e55d829af1788
#* 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-2.1.html import sys i...
harterj/moose
python/MooseDocs/extensions/bibtex.py
Python
lgpl-2.1
11,614
[ "MOOSE" ]
c2a5a275653d629f67b09d561e681b374f0c089586f1f3c81409c18e8404fa53
# -*- coding: utf-8 -*- """ Created on Thu Jul 6 17:25:02 2017 @author: yamada """ import numpy as np from scipy.special import wofz from scipy.constants import c, k, R # ============================================================================= # h =6.62607004*10**-34 # Js or mmkg/s # k = 1.38064852*10**-23 # m...
atmtools/typhon
typhon/nonlte/spectra/lineshape.py
Python
mit
5,161
[ "Avogadro" ]
aab8d97233a4586a70ecea7c9342a9f43f52d5080165d01d7a60d5c53a1bf1a0
import numpy as np from BDSpace.Coordinates import Cartesian from BDSpace import Space from BDSpace.Curve.Parametric import Helix from BDSpace.Field import HyperbolicPotentialCurveConservativeField import BDSpaceVis as Visual from mayavi import mlab space = Space('Charged helix Space') coordinate_system = Cartesian...
bond-anton/Space_visualization
demo/05_curve_field_demo.py
Python
apache-2.0
1,632
[ "Mayavi" ]
c41b9e4310cee98f5ae6d78dbaff8ebd44824af3169ec3eaa8d9cbcc1be9944e
#!/usr/bin/env python # Copyright (c) 2004-2006 ActiveState Software Inc. # # Contributors: # Trent Mick (TrentM@ActiveState.com) """ pythoncile - a Code Intelligence Language Engine for the Python language Module Usage: from pythoncile import scan mtime = os.stat("foo.py")[stat.ST_MTIME] ...
archifix/settings
sublime/Packages/SublimeCodeIntel/libs/codeintel2/pythoncile1.py
Python
mit
73,315
[ "VisIt" ]
1c55b5509bcf0990202688403da7ef5150a6d0aeb671ab87b3a3c3021e105554
import os import time import miasm2.expression.expression as m2_expr from miasm2.arch.x86.arch import mn_x86, deref_mem_ad, parse_ast, ast_int2expr, \ base_expr, rmarg, print_size from miasm2.arch.x86.sem import ir_x86_16, ir_x86_32, ir_x86_64 from miasm2.core.bin_stream import bin_stream_str filename = os.environ...
rom1sqr/miasm
test/arch/x86/arch.py
Python
gpl-2.0
87,644
[ "VisIt" ]
751b38a4df22302af4b7d0905d7826f144b80e9ed51d236d5fed628b4aa4fb1b
# Copyright 2012 Nebula, 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 # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agree...
froyobin/horizon
horizon/base.py
Python
apache-2.0
36,939
[ "VisIt" ]
dcc8f2c1d872c1e3c22428ba88b2ddfd0a6098775586936a3d3cbb87f1a0e872
# Copyright (c) 2017 kamyu. All rights reserved. # # Google Code Jam 2017 Qualification Round - Problem C. Bathroom Stalls # https://code.google.com/codejam/contest/3264486/dashboard#s=p2 # # Time: O(logK) # Space: O(1) # # 1. by intuition, after the first person chooses the mid stall of the single row, # the rema...
kamyu104/GoogleCodeJam-2017
Qualification Round/bathroom-stalls.py
Python
mit
2,831
[ "VisIt" ]
4815b565cbdbe0f55533260aa9adbfcc2170ad3ca4c5cfaff779c1e032841a9e
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module contains objects that are used to describe the environments in a structure. The most detailed object (StructureEnvironments) contains a very thorough analysis of the environments of a given ato...
gVallverdu/pymatgen
pymatgen/analysis/chemenv/coordination_environments/structure_environments.py
Python
mit
103,729
[ "pymatgen" ]
8ee32fb14d3763a66bed27caa4689bea1e89b0b150ba092c91bdfe5cf3e39dbf
# 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 (t...
apache/incubator-allura
Allura/allura/model/auth.py
Python
apache-2.0
32,533
[ "VisIt" ]
36cefce0ed0a0baf83c5403418bf9d246883ff8ad264b8ee51aa091f7749a749
# -*- coding: utf-8 -*- __date__ = "2011/02/21" #__doc__ = """ texte doc """ import os, sys import datetime import itertools #now = datetime.datetime.now() try: import pysam except ImportError: print "\tError: Pysam is not installed. \n\ Please see: https://github.com/pysam-developers/pysam\n\...
gillet/ulysses
inversions.py
Python
gpl-3.0
37,195
[ "pysam" ]
b7d1bcb7ec3a53d5bd698a455368d423deb76dff3f035902eb2dc661de76eb70
""" This module gathers tree-based methods, including decision, regression and randomized trees. Single and multi-output problems are both handled. """ # Authors: Gilles Louppe <g.louppe@gmail.com> # Peter Prettenhofer <peter.prettenhofer@gmail.com> # Brian Holt <bdholt1@gmail.com> # Noel Da...
schets/scikit-learn
sklearn/tree/tree.py
Python
bsd-3-clause
34,304
[ "Brian" ]
fa46bd6fe679dd5b7022dece48dd5f8353d52eb3c6d1144bf62b5c741de5dcaf
# This file is part of cldoc. cldoc 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, version 2. # # This program is distributed in the hope that it will be useful, but WITHOUT # ANY WARRANTY; without even the ...
jessevdk/cldoc
cldoc/nodes/node.py
Python
gpl-2.0
7,646
[ "VisIt" ]
46f99d8709436115159c6a0c0e885d8bf9f0158ecbcb6f4cf498e4ad3147ce64
# Copyright (c) Roman Lutz. All rights reserved. # The use and distribution terms for this software are covered by the # Eclipse Public License 1.0 (http://opensource.org/licenses/eclipse-1.0.php) # which can be found in the file LICENSE.md at the root of this distribution. # By using this software in any fashion, you ...
romanlutz/fantasy-football-prediction
get_data.py
Python
epl-1.0
6,500
[ "Brian", "Dalton" ]
1da088c4bc26234d706ed5d802d79cb302a69bfd67181dcffa4f488f6b6b4ada
# BEGIN_COPYRIGHT # # Copyright (C) 2013-2014 CRS4. # # This file is part of vispa. # # vispa 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 #...
crs4/vispa
bl/tiget/mr/blast/mapper.py
Python
gpl-3.0
9,138
[ "BLAST" ]
20db5cb73610cd8bb68b7ef33c3a8f536b6452cddeb748272ed1772922f7c96f
""" TopErrorMessagesReporter produces a list with the most common errors injected in the SystemLoggingDB and sends a notification to a mailing list and specific users. """ __RCSID__ = "$Id$" from DIRAC import S_OK, S_ERROR from DIRAC.Core.Base.AgentModule ...
vmendez/DIRAC
FrameworkSystem/Agent/TopErrorMessagesReporter.py
Python
gpl-3.0
5,376
[ "DIRAC" ]
f93c9918ad2b610eb784be43dde556dd8df8821c76c11f63d646ade88356ff96
import functools import operator from chainer.functions.connection import linear from chainer import initializers from chainer import link from chainer import variable class Linear(link.Link): """Linear layer (a.k.a.\\ fully-connected layer). This is a link that wraps the :func:`~chainer.functions.linear`...
aonotas/chainer
chainer/links/connection/linear.py
Python
mit
4,390
[ "Gaussian" ]
3011110308f88a7d40c298e0767a1a2d41347373dce1438b05948163d7d02f32
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2022 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 #...
psi4/psi4
psi4/share/psi4/databases/A24.py
Python
lgpl-3.0
29,690
[ "Psi4" ]
74065cc01d8feadc4e73a8abe32a4d7ecb0751096f6b75a731e523558a3648ea
# Code Taken from Cytoscape App Store from django.core.files import File from PIL import Image from io import StringIO def scale_img(f, name, max_px, dim): try: img = Image.open(f, 'r') except IOError: raise ValueError('invalid image file') (w, h) = img.size if dim == 'h': if...
abhijithanilkumar/ns-3-AppStore
src/util/img_util.py
Python
mit
938
[ "Cytoscape" ]
f13acc2546f445ffe68310c302cb48e2b61da6b4b91dd654dae769eb1f201f2c
"""Module containing class `ClassifyCommand`.""" import logging import time from vesper.command.command import Command from vesper.django.app.models import AnnotationInfo, Job, Processor from vesper.singleton.extension_manager import extension_manager import vesper.command.command_utils as command_utils import vespe...
HaroldMills/Vesper
vesper/command/classify_command.py
Python
mit
7,103
[ "VisIt" ]
e776c625d740bc54fa79dd9a0c957134ef773acf834e1e13a0f611e43d672cb7
######################################################################## # $Id$ ######################################################################## """ DIRAC FileCatalog Storage Element Manager mix-in class """ __RCSID__ = "$Id$" from DIRAC import S_OK, S_ERROR, gLogger from DIRAC.Core.Utilities.Pfn import pfnun...
sposs/DIRAC
DataManagementSystem/DB/FileCatalogComponents/SEManager.py
Python
gpl-3.0
8,953
[ "DIRAC" ]
eb2ce0aa244df0ceb684ff69696ddc9c14f436651fd60dcd0c9a6d67720b28ee
#!/usr/bin/env python # Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
sunqm/pyscf
pyscf/gto/test/test_ecp.py
Python
apache-2.0
12,368
[ "PySCF" ]
709e1ecbae0a494052878d17864fac7f9bd78337d92f901341a7dabf93a1ad55
#! /usr/bin/env python3.5 # -*- coding: utf-8 -*- """ A simple implementation of OaA convolution """ from PIL import Image from typing import Union, Tuple, Callable as Function from functools import wraps from glob import iglob from scipy.integrate import dblquad from math import pi from numpy.fft import fft2 as FFT,...
bjd2385/fftconvolve
oaconvolution.py
Python
mit
9,557
[ "Gaussian" ]
72244871ad139c021d2a2706090b2666a81ca8e729bcdc65cc126c4a964d6d32
from itertools import product import pytest import warnings from warnings import catch_warnings from datetime import datetime, timedelta from numpy.random import randn import numpy as np from pandas import _np_version_under1p12 import pandas as pd from pandas import (Series, DataFrame, bdate_range, ...
louispotok/pandas
pandas/tests/test_window.py
Python
bsd-3-clause
149,640
[ "Gaussian" ]
f5515f4c5b4cdcef00f3e4333965214720f83bc169989f5e8cfc145e46953e17
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2011 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program 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 F...
tiagocardosos/stoq
stoqlib/gui/search/sellableunitsearch.py
Python
gpl-2.0
2,718
[ "VisIt" ]
978ab43bb8d9412838e04890095d70c093b920be95416d94e43d6223e935c56c
#!/usr/bin/python import numpy as np import scipy as sp import matplotlib.pyplot as plt import scipy.integrate as spint import scipy.linalg as spal import time import matplotlib as mpl from mpl_toolkits.mplot3d import Axes3D import itertools def hash(x): return '%f_%f_%f_%f'%(x[0],x[-1],x[1]-x[0],x[-1]-x[-2]) de...
StochasticNumerics/mimclib
tests/HJM/HJM.py
Python
gpl-2.0
32,203
[ "Gaussian" ]
63451f820b968a9eda3bb5ef74d9fd5a6c374aa61df11179cb5781ffa23a4430
# Copyright (C) 2012-2016 # Max Planck Institute for Polymer Research # Copyright (C) 2008-2011 # 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 the GNU General...
espressopp/espressopp
src/integrator/LBInitPopWave.py
Python
gpl-3.0
2,410
[ "ESPResSo" ]
9b59db236fcdac7a5aef986d9acf8e162ddebd418424f6a760484f641b7aecfc
#!/usr/bin/env python # -*- coding: utf-8 -*- ################################################################################ # # qooxdoo - the new era of web development # # http://qooxdoo.org # # Copyright: # 2006-2010 1&1 Internet AG, Germany, http://www.1und1.de # # License: # LGPL: http://www.gnu.org/li...
sebastienhupin/qxrad
qooxdoo/tool/pylib/ecmascript/frontend/treeutil.py
Python
lgpl-3.0
27,723
[ "VisIt" ]
d2fb9b94a35d76d1c5dc7af12cd458f78f7940f09f367bb5d02c2bb75672f8b7
# Authors: Alexandre Gramfort <alexandre.gramfort@telecom-paristech.fr> # Matti Hamalainen <msh@nmr.mgh.harvard.edu> # Denis Engemann <denis.engemann@gmail.com> # Andrew Dykstra <andrew.r.dykstra@gmail.com> # Mads Jensen <mje.mads@gmail.com> # # License: BSD (3-clause) from copy imp...
matthew-tucker/mne-python
mne/evoked.py
Python
bsd-3-clause
48,018
[ "Mayavi" ]
758b7188991a2760bb0901632134047f40fb103dac5b77015710d36969598520
import pylab import sys import gkcLinear ################## gs2 Data Analysis ############# import Scientific.IO.NetCDF as NetCDF # Open File gs2_file = NetCDF.NetCDFFile(sys.argv[1],'r') # Get time evolution of phi2 = gs2_file.variables['phi2_by_ky'][:] T = gs2_file.variables['t'][:] ky = gs2_file.variab...
philscher/gkc
Benchmarks/gs2/ShearlessSlab/Analyze.py
Python
gpl-3.0
804
[ "NetCDF" ]
320cdf302cdbd6890ac8c5e69b1dfa42627fe69a3a332d8f509eaeed6712ba42
""" Provide a generic structure to support window functions, similar to how we have a Groupby object. """ from collections import defaultdict from datetime import timedelta from textwrap import dedent from typing import List, Optional, Set import warnings import numpy as np import pandas._libs.window as libwindow fro...
kushalbhola/MyStuff
Practice/PythonApplication/env/Lib/site-packages/pandas/core/window.py
Python
apache-2.0
85,115
[ "Gaussian" ]
504c6c365569ecc3548e51493bf4de798680546ebccc9e5c199067acfe0f06f3
#!/usr/bin/env python # # Electrum - Lightweight Bitcoin Client # Copyright (C) 2015 Thomas Voegtlin # # Permission is hereby granted, free of charge, to any person # obtaining a copy of this software and associated documentation files # (the "Software"), to deal in the Software without restriction, # including without...
GroestlCoin/electrum-grs
electrum_grs/plugins/trustedcoin/qt.py
Python
gpl-3.0
13,381
[ "VisIt" ]
8bba4a990bb4b156821d1b0f232f537c245ef2093ee41dfa89c3522a222d3141
# -*- coding: utf-8 -*- """ Tests the "preview" selector in the LMS that allows changing between Staff, Student, and Content Groups. """ from ..helpers import UniqueCourseTest, create_user_partition_json from ...pages.studio.auto_auth import AutoAuthPage from ...pages.lms.courseware import CoursewarePage from ...pages...
Shrhawk/edx-platform
common/test/acceptance/tests/lms/test_lms_user_preview.py
Python
agpl-3.0
13,747
[ "VisIt" ]
7b1ad0cb4965c3bf4f7298bb685aae0d78f3f1bdcc6b54e6e4c94a82c19cd925
# -*- coding: utf-8 -*- from __future__ import generators import rdflib from rdflib.graph import ConjunctiveGraph from rdflib import plugin from rdflib.store import Store, NO_STORE, VALID_STORE from rdflib.namespace import Namespace from rdflib.term import Literal, URIRef from types import TupleType import time from ...
alcides/rdflib
rdflib/sparql/sql/QueryCostEstimator.py
Python
bsd-3-clause
44,459
[ "VisIt" ]
6f7e21535f8eca550a9115365f1ce4b5700538fef8fe976e7b96db7007db4469
# # 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/test/zoo/orca/learn/spark/test_estimator_keras_for_spark.py
Python
apache-2.0
24,793
[ "ORCA" ]
c6f3afe4691a9d22a4ca7a5a2a692062f6295d4008d5bc84dd75c9d2a9781221
from __future__ import absolute_import import tensorflow as tf import numpy as np from gpflow import settings,autoflow from gpflow import densities from gpflow.densities import multivariate_normal from gpflow import transforms from gpflow.decors import (params_as_tensors, name_scope) from gpflow.params import (Parame...
Joshuaalbert/IonoTomo
src/ionotomo/bayes/gpflow_contrib.py
Python
apache-2.0
11,117
[ "Gaussian" ]
d5e95077ceab1c4f6145ce389d14f2bb74389ecb5c650a4c2b9fe5c9242875ad
#!/usr/bin/env python3 #* 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/lgp...
harterj/moose
modules/porous_flow/test/tests/dirackernels/dirackernels.py
Python
lgpl-2.1
7,569
[ "MOOSE" ]
37d579a9fb539b2862aa22a5f7ec7e63753a966d58c8667d05b68f4696e60434
""" Generic implementation of precise permissive field of view. This is Aaron MacDonald's python implemention, as published on Roguebasin. The original copyright notice follows.:: Author: Aaron MacDonald Date: June 14, 2007 Description: An implementation of the precise permissive fiel...
gdos/parole
src/parole/fov.py
Python
gpl-2.0
12,352
[ "VisIt" ]
8429fb2999ab9cdaae4cc393da9fe1c5578c6578b78a8a22a42ddfe30ad42aed
"""A package for submitting and managing PBS jobs""" from job import * from jobdb import * from misc import * from templates import * from custom import * __all__ = dir() __version__ = '1.1.0' __release__ = __version__ + '-dev' __authors__ = 'Brian Puchala, Tyghe Vallard, Michael panciera' __authoremails__ = 'bpuchala@...
demis001/pbs
pbs/__init__.py
Python
lgpl-2.1
511
[ "Brian" ]
ac641b27a167a622263a476a3271831a78430a780618c3bcee12aeccfdd1bfc5
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2007 Donald N. Allingham # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 Jakim Friant # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as publi...
arunkgupta/gramps
gramps/plugins/tool/desbrowser.py
Python
gpl-2.0
5,491
[ "Brian" ]
8f2292aff543af88a9267610c5a7aad286e29e8a195a50297ced15405cf89582
from ase.test import cli, require # warning! parameters are not converged - only an illustration! require('elk') cli("""ase-build -x fcc -a 4.04 Al | \ ase-run elk -p \ "tasks=0,kpts=1.5,rgkmax=5.0,tforce=True,smearing=(fermi-dirac,0.05)" """)
grhawk/ASE
tools/ase/test/elk/elk_cmdline.py
Python
gpl-2.0
245
[ "ASE", "DIRAC", "Elk" ]
3a531c96b05fc07001298ca1f7c961cfb0938953e0ac8baca31dd0c9efc4e328
from string import maketrans import operator import random from collections import defaultdict ###Stats and math functions def weighted_sampler(pop_dict): """randomly sample a dictionary's keys based on weights stored as values example: m = {'a':3, 'b':2, 'c':5} samps = [weighted_sampl...
flag0010/pop_gen_cnn
tajimas_D/common.py
Python
gpl-3.0
7,301
[ "Biopython" ]
846e1f333bebf39734b5db94422504b95c1be118cfa757b2ffb6c24a10a7665a
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2006 Donald N. Allingham # Copyright (C) 2007-2009 Brian G. Matherly # Copyright (C) 2009-2010 Benny Malengier <benny.malengier@gramps-project.org> # Copyright (C) 2010 Peter Landgren # Copyright (C) 2011 Adam Stein <adam@csh.rit.ed...
pmghalvorsen/gramps_branch
gramps/plugins/docgen/asciidoc.py
Python
gpl-2.0
17,021
[ "Brian" ]
e3d5ca50414246770db01f06046905bd5cb979a16379e9fd283706ebf1f07639
# Exploit Title: Nagios XI 5.5.6 Remote Code Execution and Privilege Escalation # Date: 2019-08-24 # Exploit Author: elbae # Vendor Homepage: https://www.nagios.com/ # Product: Nagios XI # Software Link: https://assets.nagios.com/downloads/nagiosxi/5/xi-5.5.6.tar.gz # Version: From 2012r1.0 to 5.5.6 # Tested on: # - U...
elbae/misc
nagios-xi-5.5.6-rce-root-reverse.py
Python
gpl-3.0
10,146
[ "VisIt" ]
0516a231798696bc1eb5635b588e5d8717f479dd8c442a8db9eabf9dee8a332d
# Copyright 2017 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...
npuichigo/ttsflow
third_party/tensorflow/tensorflow/contrib/timeseries/python/timeseries/state_space_models/varma.py
Python
apache-2.0
8,860
[ "Gaussian" ]
babec8fa02aa7ea334baafe98d0be3fef4df78662d467afefdb35e5b57d38436
#!/usr/bin/env python # -*- mode: python; coding: utf-8; -*- # ---------------------------------------------------------------------------## # # Copyright (C) 1998-2003 Markus Franz Xaver Johannes Oberhumer # Copyright (C) 2003 Mt. Hood Playing Card Co. # Copyright (C) 2005-2009 Skomoroh # # This program is free softwa...
shlomif/PySolFC
pysollib/options.py
Python
gpl-3.0
27,460
[ "CRYSTAL" ]
f4fa9d6b80fc34ba1043e7ce73f8958fc9b80493aa7f54f4710472b9b2b86519
import pysam, sys, os, random from jobTree.src.bioio import fastaRead, fastqRead, \ cigarReadFromString,PairwiseAlignment, fastaWrite, fastqWrite, logger, absSymPath, reverseComplementChar def pathToBaseNanoporeDir(): """Returns path to base directory "marginAlign" """ import marginAlign i = absSymPath...
isovic/marginAlign
src/margin/utils.py
Python
mit
18,995
[ "BWA", "pysam" ]
325a2ebdf08b7606cec85e1dfa2e2f8b6b7c3daa7e6d529c08249e5563ab398f
#!/usr/bin/env python """ Crystal Module for Grabber v0.1 Copyright (C) 2006 - Romain Gaucher - http://rgaucher.info """ import sys,os,re, string, shutil from xml.sax import * # Need PyXML [http://pyxml.sourceforge.net/] from grabber import getContent_POST, getContentDirectURL_POST from grabber import getCo...
goofwear/raspberry_pwn
src/pentest/grabber/crystal.py
Python
gpl-3.0
16,280
[ "CRYSTAL" ]
83503b4489accf7fcb2425f7de3cafa8397e1a13b36d46adc99d1509709a04b1
""" Tests for IPython.config.application.Application Authors: * Brian Granger """ #----------------------------------------------------------------------------- # Copyright (C) 2008-2011 The IPython Development Team # # Distributed under the terms of the BSD License. The full license is in # the file COPYING, d...
cloud9ers/gurumate
environment/lib/python2.7/site-packages/IPython/config/tests/test_application.py
Python
lgpl-3.0
6,003
[ "Brian" ]
f80e262c3d7883911810979e45bbe5bbd264c8032d8d467534624e3b4e54bf47
# Principal Component Analysis Code : from numpy import mean,cov,double,cumsum,dot,linalg,array,rank,size,flipud from pylab import * import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy.ndimage as ni import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import ro...
tapomayukh/projects_in_python
classification/Classification_with_kNN/Single_Contact_Classification/Feature_Comparison/multiple_features/best_kNN_PCA/test11_cross_validate_categories_1200ms_scaled_method_v_area_motion.py
Python
mit
5,090
[ "Mayavi" ]
a5e814aaaa1a418bad55fd5f5a8b4581f2562a4c783c6f1c142cf156e18ab6fd
from __future__ import print_function import espressomd from espressomd import thermostat from espressomd import integrate import numpy as np from threading import Thread from math import * from espressomd.visualization_opengl import * # Minimal interactive OpenGL visualization for ESPResSo print("Press u/j to change...
KonradBreitsprecher/espresso
samples/visualization_interactive.py
Python
gpl-3.0
1,920
[ "ESPResSo" ]
49fa05a39ae604003e72e4de8083adccebed98002bfaf047858eb2d26c22e0a4
import sys from distutils.core import setup if (sys.version_info.major, sys.version_info.minor) < (3, 4): sys.exit("Python < 3.4 not supported.") setup( name='octopus-tools', version='0.1', license='LGPLv3', packages=['octopus', 'octopus.server', 'octopus.server.orientdb', 'octopus.plugins', 'octo...
fabsx00/bjoern
python/octopus-tools/setup.py
Python
gpl-3.0
511
[ "Octopus" ]
3186fe9f7736bbaa744f08b41595ffbe0895df67ae18cc6b255d7ffb0edd7dc6
# Copyright 2012-2014 Brian May # # This file is part of python-tldap. # # python-tldap is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version....
Karaage-Cluster/python-tldap
tldap/modlist.py
Python
gpl-3.0
5,474
[ "Brian" ]
1d056d5880a2c1947384184e93ad8e85a5aec5c00843d7d49a0d966da07b7778
import sys import petsc4py petsc4py.init(sys.argv) from petsc4py import PETSc from src.objComposite import createEcoliComp_tunnel from codeStore.ecoli_common import * # @profile def main_fun(**main_kwargs): OptDB = PETSc.Options() fileHandle = OptDB.getString('f', 'singleEcoliPro') OptDB.setValue('f', f...
pcmagic/stokes_flow
ecoli_in_pipe/single_ecoli_plot.py
Python
mit
784
[ "VTK" ]
503a5aed06558af7af78452032dd36fc9961b6be424e4b60e59b2340bbb1aa75
""" Testing for Gaussian Process module (sklearn.gaussian_process) """ # Author: Vincent Dubourg <vincent.dubourg@gmail.com> # Licence: BSD 3 clause from nose.tools import raises from nose.tools import assert_true import numpy as np from sklearn.gaussian_process import GaussianProcess from sklearn.gaussian_process ...
shikhardb/scikit-learn
sklearn/gaussian_process/tests/test_gaussian_process.py
Python
bsd-3-clause
6,761
[ "Gaussian" ]
3e85f6a3068359bbaffbe9ddfbefc8f22c13c6eaadb10b875c054406f72ff1b8
import functools import warnings from collections import Mapping from numbers import Number import numpy as np import pandas as pd from . import ops from . import utils from . import common from . import groupby from . import indexing from . import alignment from . import formatting from .. import conventions from .a...
NicWayand/xray
xarray/core/dataset.py
Python
apache-2.0
89,861
[ "NetCDF" ]
a8608efc50f40fd55413bbca5ff4fb18f9b96d4f379c30b5915a462358ede892
__author__ = 'Tom Schaul, tom@idsia.ch' from scipy import zeros, randn from random import random, sample, gauss from topology import TopologyEvolvable class MaskedParameters(TopologyEvolvable): """ A module with a binary mask that can disable (=zero) parameters. If no maximum is set, the mask can ...
iut-ibk/Calimero
site-packages/pybrain/structure/evolvables/maskedparameters.py
Python
gpl-2.0
4,226
[ "Gaussian" ]
c53d802ff840156e51dc0b17af200df556b0d2c72aede128621080500309b800
""" Views for the verification flow """ import json import logging import decimal import datetime from collections import namedtuple from pytz import UTC from ipware.ip import get_ip from django.conf import settings from django.core.urlresolvers import reverse from django.http import ( HttpResponse, HttpResponseB...
beni55/edx-platform
lms/djangoapps/verify_student/views.py
Python
agpl-3.0
47,604
[ "VisIt" ]
c12b61f80736baa0c4457955af47b431e74814972f12069a465ec415d2b9759b
# -*- coding: utf-8 -*- """ Created on Wed Jan 13 09:41:53 2016 @author: Radu """ # -*- coding: utf-8 -*- """ Created on Tue Jan 12 10:34:07 2016 @author: Radu """ from interneuron import Interneuron from neuron import h class Renshaw(Interneuron): #### Inherits from Cell """Two-section cell: A soma with acti...
penguinscontrol/Spinal-Cord-Modeling
CPG/rc_in.py
Python
gpl-2.0
379
[ "NEURON" ]
04ee735ab5df544d0fea71aa3351e322651710942af76029b2908dc1356417bf
#!/usr/bin/env python ''' K-means clusterization sample. Usage: kmeans.py Keyboard shortcuts: ESC - exit space - generate new distribution ''' # Python 2/3 compatibility from __future__ import print_function import numpy as np import cv2 from gaussian_mix import make_gaussians if __name__ == '__main__'...
makelove/OpenCV-Python-Tutorial
官方samples/kmeans.py
Python
mit
1,211
[ "Gaussian" ]
acbc7ed536246c93d5ae8e57e503f354eb075a0a5e7e98ee01e2452c120ffb16
# ICE Revision: $Id:$ """Working with a directory of surface samples Should be able to generalize this with SampleDirectory, but not right now""" from os import path,listdir from glob import glob from PyFoam.Error import error import math class SurfaceDirectory(object): """A directory of sampled times""" d...
takaakiaoki/PyFoam
PyFoam/RunDictionary/SurfaceDirectory.py
Python
gpl-2.0
4,298
[ "VTK" ]
d8e1b483fe7eedb36c5b80e511a1c6582a197bd19da0ec1be7a1e0e974276258
######################################################################## # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2012/12/11 18:04:25 ######################################################################## """ :mod: SubprocessTests ======================= .. module: SubprocessTests :synopsis: uni...
ic-hep/DIRAC
src/DIRAC/Core/Utilities/test/Test_Subprocess.py
Python
gpl-3.0
2,095
[ "DIRAC" ]
6460c0775dc30346f16ce019c7309d4ae4c1c4ab7ae2e1dfbf21d63241053292
import random from templates.text import TextTemplate def process(input, entities=None): greetings = [ 'Welcome home, sir...', 'All wrapped up here, sir. Will there be anything else?', 'I seem to do quite well for a stretch, and then at the end of the sentence I say the wrong cranberry.',...
swapagarwal/JARVIS-on-Messenger
modules/src/hello.py
Python
mit
886
[ "VisIt" ]
0e4972218f554940aeadfccbc4bed5870a5ee19eac3698f6f5971f7ef17d16e4
import getpass import argparse from os import path from string import Template dirname = path.relpath(".", "..") username = getpass.getuser() parser = argparse.ArgumentParser("Initialize a boilerplate package.json") parser.add_argument('-n', '--project_name', nargs="?", const=dirname, default=dirname) parser.add_argu...
imdaveho/boilerplates
js-boilerplate/project_init.py
Python
gpl-2.0
1,423
[ "GULP" ]
3e4aa231e72dbce53b2028d084357c10c6a6228cd36fecf348c4a74100be1f1a
import os import sched import time from datetime import date from datetime import datetime from os.path import join, dirname from pymongo import MongoClient import sys import base64 import cdsapi from sendgrid import SendGridAPIClient from sendgrid.helpers.mail import Mail import sendgrid from sendgrid.helpers.mail imp...
ajijohn/ebm
index1.py
Python
apache-2.0
8,943
[ "NetCDF" ]
98a2d92e7a42d7cf92a9e25e3bba05c95cf104cd464b217735f526d42e9a1441
# -*- coding: utf-8 -*- # Copyright: (c) 2020-2021, Ansible Project # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) """Requirement provider interfaces.""" from __future__ import (absolute_import, division, print_function) __metaclass__ = type import functools import typing...
mattclay/ansible
lib/ansible/galaxy/dependency_resolution/providers.py
Python
gpl-3.0
19,439
[ "Galaxy" ]
cb2a4ceb4575f85acd83e8ad56ca98461b0718c7ac5e9cbb6f69208630d2da89
from . import css WaveSkin = {} WaveSkin['default'] = ["svg", {"id": "svg", "xmlns": "http://www.w3.org/2000/svg", "xmlns:xlink": "http://www.w3.org/1999/xlink", "height": "0"}, ["style", {"type": "text/css"}, css.css.default], ["defs", ["g", {"id":...
BreizhGeek/wavedrompy
wavedrom/waveskin.py
Python
mit
67,433
[ "VMD" ]
c2a2f444d5dd1d53deadebb904386827b775204e3e580040cd6f815be90421d7
#!/usr/bin/env python ''' Given HLA-A and HLA-B genes annotated with BLAST IMGT/HLA database genotypes, determine associated serotypes DQA1 | DQB1 | type -------------------- 02:01| 02:02| DQ2.2 03:03| 02:02| DQ2.3 05:01| 02:01| DQ2.3 03:01| 03:02| DQ8 03:02| 03:02| DQ8 03:03| 03:02| DQ8 Annotations are of form DQ[A...
ErasmusMC-Bioinformatics/galaxytools-emc
tools/hla_dq/hla_dq.py
Python
mit
2,849
[ "BLAST" ]
43bbbc64fd1f0e4f4966621da56d3ad59a7529d70c7e09a1d0071839eb73f0cf
# This file is part of cldoc. cldoc 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, version 2. # # This program is distributed in the hope that it will be useful, but WITHOUT # ANY WARRANTY; without even the ...
kostyll/cldoc
cldoc/nodes/cclass.py
Python
gpl-2.0
3,157
[ "VisIt" ]
66074cb3f0cc92d4f90bbe031e71c3205ac82843a795441ff4a3688daed39d12
# -*- coding: utf-8 -*- ''' *GSASIIstrMath - structure math routines* ----------------------------------------- ''' ########### SVN repository information ################### # $Date: 2018-06-13 20:58:28 +0300 (Wed, 13 Jun 2018) $ # $Author: vondreele $ # $Revision: 3433 $ # $URL: https://subversion.xray.aps.a...
AntonGagin/GSAS_USE
patchSystErrors/originalOld/GSASIIstrMath.py
Python
gpl-3.0
233,633
[ "CRYSTAL", "Gaussian" ]
29bc6c404385650b4068733fa99f31e9e3d02a053c5dbb45fe8b94e7653349c5
""" This module implements an interface to the critic2 Bader analysis code. For most Bader analysis purposes, users are referred to pymatgen.command_line.bader_caller instead, this module is for advanced usage requiring identification of critical points in the charge density. This module depends on a compiled critic2...
mbkumar/pymatgen
pymatgen/command_line/critic2_caller.py
Python
mit
34,948
[ "CRYSTAL", "VASP", "pymatgen" ]
48419c98b1570dbf7ac8f5f33b3ee112411392c391c239024f235a4b8b44a8ad
import pysam import sys def snp_sort_key(snp): return int(snp.contig) << 32 | snp.pos class SNPInfo: def __init__(self, contig, pos, nuc, name=None, ref="C"): self.contig = contig self.pos = int(pos) self.nuc = nuc self.ref = ref self.name = name if name else "%s:%i:...
ARUP-NGS/BMFtools
scripts/variant_table.py
Python
mit
6,812
[ "pysam" ]
56fb6c1c01f1dfa5860d0e441913b2eb1679b47d1814542d87ba693ca7b331fa
#!/usr/bin/env python # Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
gkc1000/pyscf
pyscf/grad/test/test_tdrhf_grad.py
Python
apache-2.0
6,704
[ "PySCF" ]
f12a0809d76792f420762c4ec2dc893a285bc9ab64c038a4ebb41177f6442027
import pygtk pygtk.require20() import gtk, gobject, cairo from gtk import gdk import time class CairoDrawingArea(gtk.DrawingArea, object): __gsignals__ = { "expose-event" : "override", "motion-notify-event" : "override", "button-press-event" : "override", "button-release-event" : "...
antoinevg/survival
core/cairodrawingarea.py
Python
gpl-2.0
7,350
[ "BLAST" ]
973e963fede0b08ae717410c4473c3691ae166d016b511f660f33eeb591ec23f