Commit History

Fixed incorrectly named columns.
24ea51f
verified

erwallace commited on

Delete ligboundconf_2_molecules_and_energies.parquet
3ea20e6
verified

erwallace commited on

Renamed xtb and crest columns to correct local/global min
a460873
verified

erwallace commited on

Delete ligboundconf_2_molecules_and_energies.parquet
3e77697
verified

erwallace commited on

Rename ligboundconf_2_xtb_global_min.sdf to ligboundconf_2_xtb_local_min.sdf
46dfe30
verified

erwallace commited on

Rename ligboundconf_2_crest_local_min.sdf to ligboundconf_2_crest_global_min.sdf
301a2d9
verified

erwallace commited on

Update README.md
b4c1c9e
verified

erwallace commited on

Update README.md
e1a6e11
verified

erwallace commited on

Update README.md
0caa413
verified

erwallace commited on

Upload 6 files
ea0d809
verified

erwallace commited on

Update README.md
fedfb9b
verified

erwallace commited on

initial commit
e1e7e5c
verified

erwallace commited on