Published October 7, 2023 | Version 1.0
Dataset Open

ANI-2X test Dataset and PDB ligand molecule files

Authors/Creators

  • 1. University of Pittsburgh

Description

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

Files

Files (1.1 GB)

Name Size
md5:4b953e529a3ccd2caa8edf1a535b74b9
1.1 GB Download