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088256bfb13d14f998f6325669c2cfbabc498308
rdkit
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Code
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GraphMol
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ForceFieldHelpers
History
Paolo Tosco
584b77ea18
- work in progress on the Trajectory branch
2016-04-14 20:04:58 +01:00
..
CrystalFF
another batch of warnings squashed
2016-03-30 13:44:21 +02:00
MMFF
- work in progress on the Trajectory branch
2016-04-14 20:04:58 +01:00
UFF
- fixed a bug in getUFFAngleBendParams()
2016-04-08 00:07:00 +01:00
Wrap
- fixed a bug in getUFFAngleBendParams()
2016-04-08 00:07:00 +01:00
CMakeLists.txt
ETKDG implementation
2015-10-20 13:51:43 +02:00
