README.md

metadata

dataset_info:
  features:
    - name: SAMPLE_KEY_mol
      dtype: string
    - name: SAMPLE_KEY_img
      dtype: string
    - name: SMILES
      dtype: string
    - name: mol_embedding_reduced
      sequence: float64
    - name: img_embedding_reduced
      sequence: float64
    - name: mol_embedding
      sequence: float32
    - name: img_embedding
      sequence: float32
    - name: image
      dtype: image
    - name: distance
      dtype: float64
    - name: index
      dtype: int64
    - name: smiles_image
      dtype: image
  splits:
    - name: train
      num_bytes: 975216313.25
      num_examples: 30403
  download_size: 1002070493
  dataset_size: 975216313.25
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*

This is a mirror to the example dataset for the "CLOOME: a new search engine unlocks bioimaging databases for queries with chemical structures" paper by Sanchez-Fernandez et al.

Paper: https://www.biorxiv.org/content/10.1101/2022.11.17.516915v1

Code: https://github.com/ml-jku/cloome