Datasets:

BenchmarkDatasets
/

ESOL

license: cdla-permissive-2.0
task_categories:
  - tabular-regression
pretty_name: ESOL
tags:
  - tabular
  - drug-discovery
  - regression
  - Biomedical
  - Benchmark
  - physical-chemistry
  - fingerprint
configs:
  - config_name: ESOL
    data_files:
      - split: train
        path: data/train.parquet
      - split: validation
        path: data/val.parquet
      - split: test
        path: data/test.parquet
dataset_info:
  description: >-
    Water solubility data (log solubility in mols per litre) for common organic
    small molecules. Features: Morgan fingerprints (radius=2).