rdkit

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Files

Greg Landrum 36dea7d737 support enumerating from lists of enumerators (#3664 )

support enumerating all supported operations for a molecule

2020-12-25 05:14:46 +01:00

2020-12-25 05:14:46 +01:00

catch_main.cpp

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CMakeLists.txt

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enumerator_catch.cpp

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LinkNode.cpp

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LinkNode.h

2020-12-21 15:29:17 +01:00

MolEnumerator.cpp

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MolEnumerator.h

2020-12-25 05:14:46 +01:00

PositionVariation.cpp

2020-07-11 12:54:23 +02:00