Delete ligboundconf_2_molecules_and_energies.parquet 3ea20e6 verified erwallace commited on 1 day ago
Renamed xtb and crest columns to correct local/global min a460873 verified erwallace commited on 1 day ago
Delete ligboundconf_2_molecules_and_energies.parquet 3e77697 verified erwallace commited on 1 day ago
Rename ligboundconf_2_xtb_global_min.sdf to ligboundconf_2_xtb_local_min.sdf 46dfe30 verified erwallace commited on 1 day ago
Rename ligboundconf_2_crest_local_min.sdf to ligboundconf_2_crest_global_min.sdf 301a2d9 verified erwallace commited on 1 day ago