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lighteternal
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BioAssayAlign-Assay-Compound-Data

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biology
chemistry
drug-discovery
bioassay
screening
ranking
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Upload raw/DATASET_MANIFEST.json with huggingface_hub

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  1. raw/DATASET_MANIFEST.json +93 -1
raw/DATASET_MANIFEST.json CHANGED
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+ {
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+ "chembl_release": "chembl_36",
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+ "created_at": "2026-03-03T11:56:55.031299+00:00",
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+ "row_counts": {
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+ "measurements": 323706180
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+ "artifact_id": "pubchem_bioassays_tsv",
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+ "filename": "bioassays.tsv.gz",
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+ "url": "https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/bioassays.tsv.gz"
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+ },
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+ {
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+ "artifact_id": "pubchem_bioactivities_tsv",
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+ "filename": "bioactivities.tsv.gz",
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+ "url": "https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/bioactivities.tsv.gz"
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+ "artifact_id": "pubchem_aid2uniprot",
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+ "filename": "Aid2GeneidAccessionUniProt.gz",
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+ "url": "https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/Aid2GeneidAccessionUniProt.gz"
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+ "artifact_id": "pubchem_sid2cidsmiles",
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+ "checksum_type": "md5",
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+ "checksum_value": "",
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+ "filename": "Sid2CidSMILES.gz",
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+ "url": "https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/Sid2CidSMILES.gz"
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+ },
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+ {
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+ "artifact_id": "pubchem_cid_smiles",
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+ "checksum_value": "",
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+ "filename": "CID-SMILES.gz",
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+ "url": "https://ftp.ncbi.nlm.nih.gov/pubchem/Compound/Extras/CID-SMILES.gz"
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+ {
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+ "artifact_id": "chembl_sqlite_tar",
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+ "checksum_type": "md5",
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+ "url": "https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/chembl_36_sqlite.tar.gz"
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+ "artifact_id": "chembl_uniprot_map",
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+ "url": "https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/chembl_uniprot_mapping.txt"
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+ "version": "v1",
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+ "public_release": {
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+ "full_raw_tables_included": true,
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+ "note": "This public dataset includes the full frozen raw parquet pair together with the prepared compatibility-ranking subset used by the published model.",
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+ "raw_paths": {
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+ "measurements_parquet": "raw/measurements.parquet"
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+ }
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+ }