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372fbad13117ef52ef5a5c6ae2c42a2bd71d652e
rdkit
/
Code
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GraphMol
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ForceFieldHelpers
History
Kevin Boyd
232e4ffc84
Add Getter functions to MMFF property python interface (
#9254
)
2026-04-30 17:06:31 +02:00
..
CrystalFF
Fixes
#9143
(
#9195
)
2026-03-24 10:03:02 +01:00
MMFF
Add Getter functions to MMFF property python interface (
#9254
)
2026-04-30 17:06:31 +02:00
UFF
Cleanup/get atoms and bonds (
#9243
)
2026-04-18 05:22:09 +02:00
Wrap
Add Getter functions to MMFF property python interface (
#9254
)
2026-04-30 17:06:31 +02:00
catch_tests.cpp
Fixes Github
#7901
(
#8264
)
2025-02-13 12:46:56 +01:00
CMakeLists.txt
Fixes Github
#7901
(
#8264
)
2025-02-13 12:46:56 +01:00
FFConvenience.h
Allow creation of an empty forcefield (
#7494
)
2024-06-08 05:18:22 +02:00
