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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 +1 -1
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- {"chembl_release":"chembl_36","created_at":"2026-03-03T11:56:55.031299+00:00","file_hashes":{"assays_sha256":"4b220df37625a4b006bb5232871c956c150648fb7eac0448b17067f76a06b7b5","measurements_sha256":"1c7cb702e7d694f4c4750e139f09280419ec9d5bcd115f9d0311dfe4c2985ade"},"final_files":{"assays_parquet":"raw/assays.parquet","measurements_parquet":"raw/measurements.parquet"},"normalization_rule_version":"v1","pubchem_snapshot_date":"2026-03-01","public_release":{"notes":"Internal shard and precompute artifacts removed from public release.","prepared_subset_path":"prepared/compatibility-ranking"},"row_counts":{"assays":3800882,"measurements":323706180},"source_artifacts":[{"artifact_id":"pubchem_bioassays_tsv","checksum_type":"md5","checksum_value":"","filename":"bioassays.tsv.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/bioassays.tsv.gz"},{"artifact_id":"pubchem_bioactivities_tsv","checksum_type":"md5","checksum_value":"","filename":"bioactivities.tsv.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/bioactivities.tsv.gz"},{"artifact_id":"pubchem_aid2uniprot","checksum_type":"md5","checksum_value":"","filename":"Aid2GeneidAccessionUniProt.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/Aid2GeneidAccessionUniProt.gz"},{"artifact_id":"pubchem_sid2cidsmiles","checksum_type":"md5","checksum_value":"","filename":"Sid2CidSMILES.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/Sid2CidSMILES.gz"},{"artifact_id":"pubchem_cid_smiles","checksum_type":"md5","checksum_value":"","filename":"CID-SMILES.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Compound/Extras/CID-SMILES.gz"},{"artifact_id":"chembl_sqlite_tar","checksum_type":"md5","checksum_value":"","filename":"chembl_36_sqlite.tar.gz","url":"https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/chembl_36_sqlite.tar.gz"},{"artifact_id":"chembl_uniprot_map","checksum_type":"md5","checksum_value":"","filename":"chembl_uniprot_mapping.txt","url":"https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/chembl_uniprot_mapping.txt"},{"artifact_id":"chembl_schema_doc","checksum_type":"md5","checksum_value":"","filename":"schema_documentation.txt","url":"https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/schema_documentation.txt"}],"training_allowed":true,"uniprot_mapping_timestamp":"2026-03-01T00:00:00Z","validation":{"activity_label_valid_enum":true,"assay_uid_unique":true,"canonical_smiles_coverage":0.9920026457326209,"canonical_smiles_coverage_gate":true,"description_present_for_training_assays":true,"measurement_assay_fk":true,"missing_description_training_assays":[]},"version":"v1"}
 
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+ {"chembl_release":"chembl_36","created_at":"2026-03-03T11:56:55.031299+00:00","file_hashes":{"assays_sha256":"4b220df37625a4b006bb5232871c956c150648fb7eac0448b17067f76a06b7b5","measurements_sha256":"1c7cb702e7d694f4c4750e139f09280419ec9d5bcd115f9d0311dfe4c2985ade"},"normalization_rule_version":"v1","pubchem_snapshot_date":"2026-03-01","public_release":{"full_raw_tables_included":false,"note":"This manifest describes the frozen source corpus used to derive the public prepared subset. The full raw parquet tables are not distributed in this compact public repo.","prepared_subset_path":"prepared/compatibility-ranking"},"row_counts":{"assays":3800882,"measurements":323706180},"source_artifacts":[{"artifact_id":"pubchem_bioassays_tsv","checksum_type":"md5","checksum_value":"","filename":"bioassays.tsv.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/bioassays.tsv.gz"},{"artifact_id":"pubchem_bioactivities_tsv","checksum_type":"md5","checksum_value":"","filename":"bioactivities.tsv.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/bioactivities.tsv.gz"},{"artifact_id":"pubchem_aid2uniprot","checksum_type":"md5","checksum_value":"","filename":"Aid2GeneidAccessionUniProt.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/Aid2GeneidAccessionUniProt.gz"},{"artifact_id":"pubchem_sid2cidsmiles","checksum_type":"md5","checksum_value":"","filename":"Sid2CidSMILES.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Bioassay/Extras/Sid2CidSMILES.gz"},{"artifact_id":"pubchem_cid_smiles","checksum_type":"md5","checksum_value":"","filename":"CID-SMILES.gz","url":"https://ftp.ncbi.nlm.nih.gov/pubchem/Compound/Extras/CID-SMILES.gz"},{"artifact_id":"chembl_sqlite_tar","checksum_type":"md5","checksum_value":"","filename":"chembl_36_sqlite.tar.gz","url":"https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/chembl_36_sqlite.tar.gz"},{"artifact_id":"chembl_uniprot_map","checksum_type":"md5","checksum_value":"","filename":"chembl_uniprot_mapping.txt","url":"https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/chembl_uniprot_mapping.txt"},{"artifact_id":"chembl_schema_doc","checksum_type":"md5","checksum_value":"","filename":"schema_documentation.txt","url":"https://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/latest/schema_documentation.txt"}],"training_allowed":true,"uniprot_mapping_timestamp":"2026-03-01T00:00:00Z","validation":{"activity_label_valid_enum":true,"assay_uid_unique":true,"canonical_smiles_coverage":0.9920026457326209,"canonical_smiles_coverage_gate":true,"description_present_for_training_assays":true,"measurement_assay_fk":true,"missing_description_training_assays":[]},"version":"v1"}