data/input/invitro/assay_overview_selected.csv filter=lfs diff=lfs merge=lfs -text
data/input/invitro/Chemical_List_ToxCast_invitroDB_v4_1-2024-04-29.csv filter=lfs diff=lfs merge=lfs -text
data/input/sirius/sirius_training_structures_positive-mode_inchi.tsv filter=lfs diff=lfs merge=lfs -text
data/input/sirius/sirius_training_structures_positive-mode_inchi_dtxsid.csv filter=lfs diff=lfs merge=lfs -text
data/processed/chemical_fingerprints/*parquet filter=lfs diff=lfs merge=lfs -text
data/processed/chemical_fingerprints/intermediate/*csv filter=lfs diff=lfs merge=lfs -text
data/processed/chemical_fingerprints/intermediate/*sdf filter=lfs diff=lfs merge=lfs -text
data/processed/hrms_massbank/massbank_published-data_complete.csv filter=lfs diff=lfs merge=lfs -text
data/processed/hrms_massbank/massbank_published-data_smiles.csv filter=lfs diff=lfs merge=lfs -text
data/processed/hrms_massbank/massbank_validation_predfps_dtxsid.csv filter=lfs diff=lfs merge=lfs -text
