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Datasets:
tim-shu
/
drug-affinity-multisource

Tasks:
Tabular Regression
Modalities:
Tabular
Text
Formats:
parquet
Languages:
English
Size:
100K - 1M
Tags:
chemistry
drug-discovery
molecular-property-prediction
random-forest
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
drug-affinity-multisource / reference /chembl
45.2 MB
Ctrl+K
Ctrl+K
  • 1 contributor
History: 1 commit
tim-shu's picture
tim-shu
Publish curated multi-source affinity datasets and fixed benchmark splits
85242d3 verified about 18 hours ago
  • LICENSE.md
    266 Bytes
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago
  • approved_library.parquet
    166 kB
    xet
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago
  • fingerprints.npz
    11.8 MB
    xet
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago
  • molecules.parquet
    15 MB
    xet
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago
  • pairs.parquet
    6.22 MB
    xet
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago
  • structure_audit.parquet
    11.9 MB
    xet
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago
  • target_components.csv
    62.1 kB
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago
  • targets.csv
    138 kB
    Publish curated multi-source affinity datasets and fixed benchmark splits about 18 hours ago