Comments (2)
Some ligands in CASF benchmark have some mistakes, so in our study we re-converted all the ligands to SDF format with the convert.py script implemented in OpenEye software, and this could make almost all the ligands recognized by RDKit.
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Thanks!
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Related Issues (19)
- error of create conda env HOT 3
- Could you provide raw data of pdbbind2020? HOT 1
- integrating w/ docking HOT 1
- sanity checking on new target HOT 40
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