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rdkit
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rdkit
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Code
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GraphMol
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ForceFieldHelpers
History
Greg Landrum
4ace62f019
remove more clang warnings
2013-12-02 05:10:23 +01:00
..
MMFF
remove more clang warnings
2013-12-02 05:10:23 +01:00
UFF
remove more clang warnings
2013-12-02 04:46:46 +01:00
Wrap
- replaced the call to sanitizeMMFFMol() in the MMFFMolProperties
2013-10-01 23:16:15 +02:00
CMakeLists.txt
- I have made MMFF atom typing more robust since I realized that
2013-09-16 12:08:02 +02:00