metadata
dataset_info:
features:
- name: SELFIE
dtype: string
- name: SMILES
dtype: string
splits:
- name: train
num_bytes: 351930666
num_examples: 1273077
- name: val
num_bytes: 21949958
num_examples: 79564
- name: test
num_bytes: 65952355
num_examples: 238694
download_size: 147769741
dataset_size: 439832979
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
- split: val
path: data/val-*
- split: test
path: data/test-*
Dataset Card for Guacamol
Dataset from the Guacamol benchmark (paper).
Dataset contains two columns, SMILE and SELFIE. Splits are identical to original splits, however, any SMILE that could not be converted to a SELFIE was dropped. Likewise, any SELFIE in the val/test splits that contained a token not found in the train split was dropped.
Can be used with this tokenizer.