Replace frag_features.pkl with the paper's freq_1 version (140096 keys)

Replace fragment_library.csv with the paper's freq_1 version (140096 fragments)

Add frag_features.pkl

Add fragment_library.csv

Add DeepBioisostere_qed_sa_ablation.pt

Add DeepBioisostere_mw_qed_ablation.pt

Add DeepBioisostere_logp_mw_ablation.pt

Add DeepBioisostere_qed_sa.pt

Add DeepBioisostere_mw_qed.pt

Add DeepBioisostere_logp_mw.pt

Add DeepBioisostere_sa.pt

Add DeepBioisostere_qed.pt

Add DeepBioisostere_mw.pt

Add DeepBioisostere_logp.pt

Add model card

initial commit