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32608ae0b4aeedb01a3fc61bb915613e9923bb40
rdkit
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External
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pubchem_shape
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test_data
History
Greg Landrum
e7b79fe4f9
Fix probe molecule transformation for ShapeAlign (
#8016
)
...
* fix output molecule transformation bug * fix test mistake
2024-11-22 09:23:48 -05:00
..
align_with_hs.sdf
Provide an RDKit wrapper around pubchem-align3d (
#7798
)
2024-09-14 06:08:24 +02:00
bulk.pubchem.sdf
Provide an RDKit wrapper around pubchem-align3d (
#7798
)
2024-09-14 06:08:24 +02:00
P17612.sdf
Fix probe molecule transformation for ShapeAlign (
#8016
)
2024-11-22 09:23:48 -05:00
test1.sdf
Provide an RDKit wrapper around pubchem-align3d (
#7798
)
2024-09-14 06:08:24 +02:00
