Datasets:

eamag
/

Chem-prop-pred

dataset_info:
  features:
    - name: smiles
      dtype: large_string
    - name: temperature
      dtype: float64
    - name: log_mw
      dtype: float64
    - name: molality
      dtype: float64
    - name: conductivity
      dtype: float64
  splits:
    - name: train
      num_bytes: 1428599
      num_examples: 10114
    - name: screen
      num_bytes: 4935911
      num_examples: 32760
  download_size: 228320
  dataset_size: 6364510
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*
      - split: screen
        path: data/screen-*
license: mit
task_categories:
  - graph-ml
tags:
  - chemistry

processed data from https://github.com/learningmatter-mit/Chem-prop-pred