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.gitignore
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/Code/docs/
/Code/JavaWrappers/gmwrapper/src/*
/Code/JavaWrappers/gmwrapper/doc/*
/Code/JavaWrappers/gmwrapper/build/*
/Code/JavaWrappers/gmwrapper/build-test/*
/Code/JavaWrappers/csharp_wrapper/swig_csharp
#- Eclipse files
/.project
/.pydevproject
#- CLion files
/cmake-build-*
#- IDEA files
/.idea
#- VS Code files
/.vscode
/.vs
#- Binary files
__pycache__/
*.so
*.pyc
/lib/
*.pyd
#- autosaves and backups
*~
#- Files created during build phase
/build*/
/Docs/Book/_build*/
/Code/RDBoost/test.h
/Code/RDGeneral/RDConfig.h
/Code/RDGeneral/export.h
/Code/RDGeneral/versions.h
/Code/RDGeneral/versions.cpp
/Code/GraphMol/SLNParse/lex.yysln.cpp
/Code/GraphMol/SLNParse/sln.tab.cpp
/Code/GraphMol/SLNParse/sln.tab.hpp
/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
/Code/GraphMol/SmilesParse/lex.yysmiles.cpp
/Code/GraphMol/SmilesParse/smarts.tab.cpp
/Code/GraphMol/SmilesParse/smarts.tab.hpp
/Code/GraphMol/SmilesParse/smiles.tab.cpp
/Code/GraphMol/SmilesParse/smiles.tab.hpp
/External/**/*.tar.gz
/External/**/*.zip
/External/catch/catch/
/External/CoordGen/coordgen/
/External/CoordGen/maeparser/
/External/FreeSASA/freesasa-2.0.1/
/External/INCHI-API/INCHI-1-SRC/
/External/INCHI-API/src/
/External/rapidjson-1.1.0/
/External/RingFamilies/RingDecomposerLib/
/External/AvalonTools/SourceDistribution
/rdkit/RDPaths.py
/rdkit/Chem/inchi.py
#- Files created during tests
/Code/ForceField/MMFF/test_data/MMFF94_dative_min.sdf
/Code/ForceField/MMFF/test_data/MMFF94_dative_min_from_SMILES.sdf
/Code/ForceField/MMFF/test_data/MMFF94_hypervalent_min.sdf
/Code/ForceField/MMFF/test_data/MMFF94_hypervalent_min_from_SMILES.sdf
/Code/ForceField/MMFF/test_data/MMFF94_reference.log
/Code/ForceField/MMFF/test_data/MMFF94s_reference.log
/Code/ForceField/MMFF/test_data/testMMFFForceField.log
/Code/GraphMol/Depictor/test_data/cis_trans_cpp.out.sdf
/Code/GraphMol/Depictor/test_data/collisions.out.sdf
/Code/GraphMol/Depictor/test_data/first_200.out.sdf
/Code/GraphMol/Depictor/test_data/test1.out.sdf
/Code/GraphMol/Depictor/test_data/constrainedCoords.out.sdf
/Code/GraphMol/FileParsers/test_data/blah.sdf
/Code/GraphMol/FileParsers/test_data/cdk2_stereo.sdf
/Code/GraphMol/FileParsers/test_data/outNCI_few.sdf
/Code/GraphMol/FileParsers/test_data/outNCI_few.tdt
/Code/GraphMol/FileParsers/test_data/outNCI_first_200.props.sdf
/Code/GraphMol/FileParsers/test_data/outSmiles.csv
/Code/GraphMol/FileParsers/test_data/testSGroupsSample_V?000.mol
/Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue62.sdf
/Code/GraphMol/MolAlign/test_data/ref_e2_pyCrippenO3A.sdf
/Code/GraphMol/Wrap/test_data/bilastine_trajectory.sdf
/Code/GraphMol/Wrap/test_data/outNCI_few.sdf
/Code/GraphMol/Wrap/test_data/outSmiles.txt
/Code/GraphMol/test_data/bilastine_trajectory.sdf
/Code/GraphMol/test_data/prop.pkl
/Projects/DbCLI/testData/bzr/
/rdkit/sping/tests/testallps.ps
/rdkit/ML/Data/test_data/testgeneral.dat.pkl
/rdkit/ML/Data/test_data/testquant.qdat.pkl
.DS_Store