Datasets:

LMucko
/

qm9

tags:
  - chemistry
  - biol
pretty_name: QM9
dataset_info:
  features:
    - name: atoms
      list: uint8
    - name: coords
      list:
        list: float16
  splits:
    - name: train
      num_bytes: 20634067
      num_examples: 100000
  download_size: 19765588
  dataset_size: 20634067
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*

QM9

Reduced QM9 dataset that keeps only:

atoms: copied from atomic_numbers
coords: copied from positions