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Release_2025_03
rdkit/Contrib
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bbu-imdea 1185a4da2b efgs code (#8145)
2025-01-09 07:26:53 +01:00
..
AtomAtomSimilarity
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
CalcLigRMSD
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
ChiralPairs
Fail CI builds on compiler warnings + some fixes (#6675)
2023-09-02 04:38:45 +02:00
ConformerParser
Switch over to using pytest to run the python tests (#5916)
2023-11-03 14:39:24 +01:00
efgs
efgs code (#8145)
2025-01-09 07:26:53 +01:00
Fastcluster
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
fraggle
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
FreeWilson
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
Glare
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
IFG
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
LEF
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
M_Kossner
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
mmpa
Switch over to using pytest to run the python tests (#5916)
2023-11-03 14:39:24 +01:00
MolVS
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
NIBRSubstructureFilters
Numpy 2 Support (#7531)
2024-06-19 07:54:50 +02:00
NP_Score
updated Morgan fingerprint generation to remove warnings (#8053)
2024-11-30 07:19:02 +01:00
PBF
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
pzc
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
RxnRoleAssignment
Reformat Python code for 2023.03 release (#6294)
2023-04-28 06:53:56 +02:00
SA_Score
SA Score updates (#7928)
2024-10-29 06:51:22 +01:00
CMakeLists.txt
option to build Contrib with RDKit added
2014-04-08 09:38:45 +02:00