MOFTransformer

- the pretrained model with 1M hMOFs

(best_mtp_moc_vfp.ckpt)

- dataset for public database 

(qmof_v13_realse.tar.gz, coremof_release.tar.gz)

- downstream dataset for finetuning (downstream_dataset.tar.gz)

=== Feature importance tutorial ===

- the finetuned model with PBE bandgap in QMOF database (with 20,135 structures)

(finetuned_bandgap.ckpt)

- the finetuned model with H2 uptake (with 20,000 structures)

(finetuned_h2_uptake.ckpt)