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data/chembl_train.smi filter=lfs diff=lfs merge=lfs -text
data/chembl45_test.pt filter=lfs diff=lfs merge=lfs -text
data/NP_score.pkl.gz filter=lfs diff=lfs merge=lfs -text
data/SA_score.pkl.gz filter=lfs diff=lfs merge=lfs -text
data/akt/akt_train.pt filter=lfs diff=lfs merge=lfs -text
data/akt/AKT1_human_adj.pt filter=lfs diff=lfs merge=lfs -text
data/akt/AKT2_human_adj.pt filter=lfs diff=lfs merge=lfs -text
data/akt/AKT3_human_adj.pt filter=lfs diff=lfs merge=lfs -text
experiments/models/NoTarget/NoTarget-G.ckpt filter=lfs diff=lfs merge=lfs -text
experiments/models/DrugGEN/DrugGEN-G.ckpt filter=lfs diff=lfs merge=lfs -text
data/PAPYRUS_200_multiple_12_errors.csv filter=lfs diff=lfs merge=lfs -text
data/transformer_multiple_12_PAPYRUS_200_16_3.pkg filter=lfs diff=lfs merge=lfs -text
experiments/models/DrugGEN-akt1/DrugGEN-G.ckpt filter=lfs diff=lfs merge=lfs -text
experiments/models/DrugGEN-cdk2/DrugGEN-G.ckpt filter=lfs diff=lfs merge=lfs -text
data/chembl_test45.pt filter=lfs diff=lfs merge=lfs -text
data/chembl_test38.pt filter=lfs diff=lfs merge=lfs -text