ANI-2X test Dataset and PDB ligand molecule files
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Collected dataset for ANI-2X/CG-BS performance testing and ligands in PDB bound conformation which could have multiconformations.
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Zenodo创建时间:
2023-10-10

Collected dataset for ANI-2X/CG-BS performance testing and ligands in PDB bound conformation which could have multiconformations.