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Upstream-Name: rdkit
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Copyright: 2006-2016 Rational Discovery LLC, Novartis Institutes for
BioMedical Research Inc, NextMove Software, Greg Landrum and
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License: BSD-3-clause
Files: Code/cmake/Modules/BoostUtils.cmake
Copyright: 2007 Douglas Gregor <doug.gregor@gmail.com>
2007 Troy Straszheim
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Copyright: 2010 Marcus D. Hanwell
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Files: Code/Demos/boost/smartPtrsAndIters/test.py
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Copyright: 2005 Rational Discovery LLC
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Files: Code/ForceField/*
Copyright: 2004-2024 Paolo Tosco
2024 Niels Maeder
License: BSD-3-clause
Files: Code/GraphMol/ForceFieldHelpers/*
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Files: Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.*
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Copyright: 2024 Niels Maeder
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Files: Code/Fuzz/*
Copyright: 2017-2020 Google LLC
License: Apache-2.0
Files: Code/GraphMol/ChemReactions/CDXMLParser.cpp
Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
Code/GraphMol/Deprotect/Wrap/rdDeprotect.h
Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp
Code/GraphMol/FileParsers/CDXMLParser.cpp
Code/GraphMol/FileParsers/CDXMLParser.h
Code/GraphMol/FileParsers/cdxml_parser_catch.cpp
Copyright: 2020-2022 Brian P. Kelley
License: BSD-3-clause
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Code/GraphMol/FileParsers/MolSGroupParsing.h
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Code/GraphMol/FileParsers/MolSGroupWriting.h
Code/JavaWrappers/Abbreviations.i
Code/JavaWrappers/MolBundle.i
Code/JavaWrappers/MolEnumerator.i
Code/JavaWrappers/ScaffoldNetwork.i
Code/GraphMol/MolDraw2D/Qt/DrawText*
Code/GraphMol/Wrap/Chirality.cpp
Code/GraphMol/Wrap/ChiralityOps.cpp
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Files: Code/GraphMol/MolDraw2D/Qt/Demo/*
Copyright: 2014 AstraZeneca, David Cosgrove
License: BSD-3-clause
Files: Code/GraphMol/FileParsers/CMLWriter.cpp
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Copyright: 2019-2020 Eisuke Kawashima
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Files: Code/GraphMol/CIPLabeler/*
Code/GraphMol/FileParsers/MaeWriter.cpp
Code/GraphMol/FileParsers/MaestroProperties.h
Code/GraphMol/Depictor/TemplateSmiles.h
Code/GraphMol/Depictor/Templates.cpp
Code/GraphMol/Depictor/Templates.h
Code/GraphMol/TautomerQuery/TautomerQuery.cpp
Code/GraphMol/Wrap/MaeWriter.cpp
Code/JavaWrappers/SubstanceGroup.i
Code/RDGeneral/RDExportMacros.h
Code/RDGeneral/RDGeneralExceptions.cpp
Code/GraphMol/TautomerQuery/TautomerQuery.h
Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
Code/GraphMol/TautomerQuery/Wrap/rough_test.py
Code/GraphMol/TautomerQuery/catch_tests.cpp
rdkit/Chem/RegistrationHash.py
Copyright: 2020-2024 Schrödinger, LLC
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Files: Code/GraphMol/FileParsers/testAtropisomers.cpp
Copyright: 2002-2021 Collaboartive Drug Discovery
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Files: Code/GraphMol/FileParsers/MaeMolSupplier.cpp
Copyright: 2018 Pat Lorton
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Files: Code/GraphMol/FileParsers/XYZFileParser.cpp
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Copyright: 2022 Sreya Gogineni
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Copyright: 2018, T5 Informatics GmbH
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Files: Code/GraphMol/Atropisomers.*
Code/GraphMol/MarvinParse/MarvinDefs.cpp
Code/GraphMol/MarvinParse/MarvinDefs.h
Code/GraphMol/MarvinParse/MarvinParser.cpp
Code/GraphMol/MarvinParse/MarvinParser.h
Code/GraphMol/MarvinParse/MarvinWriter.cpp
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Files: Code/GraphMol/MolDraw2D/*
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Copyright: 2023 David Cosgrove
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Files: Code/GraphMol/Descriptors/OxidationNumbers.*
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Files: Code/GraphMol/RGroupDecomposition/*
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Copyright: 2020 Gareth Jones, Glysade LLC
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Copyright: 1984, 1989-1990, 2000-2015, 2018 Free Software Foundation, Inc.
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Copyright: 2020 Brian P. Kelley
License: BSD-3-clause
Files: Code/GraphMol/Wrap/MultithreadedMolSupplier.h
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Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
Copyright: 2020 Shrey Aryan
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Files: Code/GraphMol/Wrap/StereoGroup.cpp
Copyright: 2018 Dan Nealschneider
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Files: Code/GraphMol/Wrap/MaeMolSupplier.cpp
Copyright: 2018 Lorton
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Files: Code/JavaWrappers/ReactionFingerprints.i
Copyright: 2018 Greg Landrum
License: BSD-2-clause
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Copyright: 2003-2016 Sereina Riniker, Paolo Tosco
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Files: Code/PgSQL/rdkit/bfp_gin.c
Code/PgSQL/rdkit/bitstring.c
Code/PgSQL/rdkit/bitstring.h
Copyright: 2016 Riccardo Vianello
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Files: Code/Query/NullQueryAlgebra.h
Code/GraphMol/MolDraw2D/MolDraw2DJS.*
Code/GraphMol/MolEnumerator/*
Code/GraphMol/ScaffoldNetwork/*
Copyright: 2019 Greg Landrum and T5 Informatics GmbH
License: BSD-3-clause
Files: Code/RDGeneral/ConcurrentQueue.h
Copyright: 2020 Shrey Aryan
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Files: Code/GraphMol/SmilesParse/main.cpp
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Code/RDGeneral/Invariant.cpp
Code/RDGeneral/testDict.cpp
Copyright: 2001-2020 Greg Landrum, Randal M. Henne and Rational Discovery
License: BSD-3-clause
Files: Code/RDGeneral/hash/*
Copyright: 2005-2009 Daniel James
License: BSL-1.0
Files: Code/GraphMol/Descriptors/AUTOCORR2D.cpp
Code/GraphMol/Descriptors/AUTOCORR3D.cpp
Code/GraphMol/Descriptors/AUTOCORR2D.h
Code/GraphMol/Descriptors/AUTOCORR3D.h
Code/GraphMol/Descriptors/AtomFeat.cpp
Code/GraphMol/Descriptors/AtomFeat.h
Code/GraphMol/Descriptors/Data3Ddescriptors.h
Code/GraphMol/Descriptors/GETAWAY.cpp
Code/GraphMol/Descriptors/GETAWAY.h
Code/GraphMol/Descriptors/MORSE.cpp
Code/GraphMol/Descriptors/MORSE.h
Code/GraphMol/Descriptors/MolData3Ddescriptors.h
Code/GraphMol/Descriptors/RDF.cpp
Code/GraphMol/Descriptors/RDF.h
Code/GraphMol/Descriptors/WHIM.cpp
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Copyright: 2016-2020 Guillaume Godin
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Copyright: 2017-2018, Guillaume Godin
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Copyright: 2020 Brian P. Kelley
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Copyright: 2003-2008 Vladimir J. Sykora
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Copyright: 2021 Carmen Esposito
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Copyright: 2021 Brian Kelley
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Files: Contrib/MolVS/molvs_cli.py
Copyright: 2016 Matt Swain
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Files: Contrib/PBF/PBFRDKit.*
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Copyright: 2012 Institue of Cancer Research
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Copyright: 2012-2013 GlaxoSmithKline Research & Development Ltd.
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Copyright: 2014, Merck KGaA
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Files: rdkit/Chem/ChemUtils/DescriptorUtilities.py
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In addition to the conditions in Section 3(a), if You Share
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License: Expat
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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License: GPL-2
On Debian GNU/Linux systems, the complete text of the GNU General
Public License v2 can be found in `/usr/share/common-licenses/GPL-2'.
License: GPL-2+
On Debian GNU/Linux systems, the complete text of the latest GNU General
Public License v2 can be found in `/usr/share/common-licenses/GPL-2'.
License: GPL-3+
On Debian GNU/Linux systems, the complete text of the GNU General
Public License version 3 can be found in /usr/share/common-licenses/GPL-3
License: GPL-3+ with Bison-2.2 exception
On Debian GNU/Linux systems, the complete text of the GNU General
Public License version 3 can be found in /usr/share/common-licenses/GPL-3
.
As a special exception, you may create a larger work that contains
part or all of the Bison parser skeleton and distribute that work
under terms of your choice, so long as that work isn't itself a
parser generator using the skeleton or a modified version thereof
as a parser skeleton. Alternatively, if you modify or redistribute
the parser skeleton itself, you may (at your option) remove this
special exception, which will cause the skeleton and the resulting
Bison output files to be licensed under the GNU General Public
License without this special exception.
.
This special exception was added by the Free Software Foundation in
version 2.2 of Bison.
License: LGPL-2+
On Debian GNU/Linux systems, the complete text of the GNU Lesser General
Public License v2 can be found in `/usr/share/common-licenses/LGPL-2'.
License: OFL-1.1
This Font Software is licensed under the SIL Open Font License,
Version 1.1.
.
This license is copied below, and is also available with a FAQ at:
http://scripts.sil.org/OFL
.
-----------------------------------------------------------
SIL OPEN FONT LICENSE Version 1.1 - 26 February 2007
-----------------------------------------------------------
PREAMBLE
.
The goals of the Open Font License (OFL) are to stimulate worldwide
development of collaborative font projects, to support the font
creation efforts of academic and linguistic communities, and to provide
a free and open framework in which fonts may be shared and improved in
partnership with others.
.
The OFL allows the licensed fonts to be used, studied, modified and
redistributed freely as long as they are not sold by themselves. The
fonts, including any derivative works, can be bundled, embedded,
redistributed and/or sold with any software provided that any reserved
names are not used by derivative works. The fonts and derivatives,
however, cannot be released under any other type of license. The
requirement for fonts to remain under this license does not apply to
any document created using the fonts or their derivatives.
.
DEFINITIONS
.
"Font Software" refers to the set of files released by the Copyright
Holder(s) under this license and clearly marked as such. This may
include source files, build scripts and documentation.
.
"Reserved Font Name" refers to any names specified as such after the
copyright statement(s).
.
"Original Version" refers to the collection of Font Software components
as distributed by the Copyright Holder(s).
.
"Modified Version" refers to any derivative made by adding to,deleting,
or substituting -- in part or in whole -- any of the components of the
Original Version, by changing formats or by porting the Font Software
to a new environment.
.
"Author" refers to any designer, engineer, programmer, technical writer
or other person who contributed to the Font Software.
.
PERMISSION & CONDITIONS
.
Permission is hereby granted, free of charge, to any person obtaining a
copy of the Font Software, to use, study, copy, merge, embed, modify,
redistribute, and sell modified and unmodified copies of the Font
Software, subject to the following conditions:
.
1) Neither the Font Software nor any of its individual components, in
Original or Modified Versions, may be sold by itself.
.
2) Original or Modified Versions of the Font Software may be bundled,
redistributed and/or sold with any software, provided that each copy
contains the above copyright notice and this license. These can be
included either as stand-alone text files, human-readable headers or in
the appropriate machine-readable metadata fields within text or binary
files as long as those fields can be easily viewed by the user.
.
3) No Modified Version of the Font Software may use the Reserved Font
Name(s) unless explicit written permission is granted by the
corresponding Copyright Holder. This restriction only applies to the
primary font name as presented to the users.
.
4) The name(s) of the Copyright Holder(s) or the Author(s) of the Font
Software shall not be used to promote, endorse or advertise any
Modified Version, except to acknowledge the contribution(s) of the
Copyright Holder(s) and the Author(s) or with their explicit written
permission.
.
5) The Font Software, modified or unmodified, in part or in whole, must
be distributed entirely under this license, and must not be distributed
under any other license. The requirement for fonts to remain under this
license does not apply to any document created using the Font Software.
.
TERMINATION
.
This license becomes null and void if any of the above conditions are
not met.
.
DISCLAIMER
.
THE FONT SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO ANY WARRANTIES OF
MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT
OF COPYRIGHT, PATENT, TRADEMARK, OR OTHER RIGHT. IN NO EVENT SHALL THE
COPYRIGHT HOLDER BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
INCLUDING ANY GENERAL, SPECIAL, INDIRECT, INCIDENTAL, OR CONSEQUENTIAL
DAMAGES, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
FROM, OUT OF THE USE OR INABILITY TO USE THE FONT SOFTWARE OR FROM
OTHER DEALINGS IN THE FONT SOFTWARE.