metadata
license: mit
language:
- en
pretty_name: smiles-transformer-dataset
size_categories:
- 100M<n<1B
dataset_info:
features:
- name: text
dtype: string
- name: formula
dtype: string
- name: NumHDonors
dtype: int64
- name: NumHAcceptors
dtype: int64
- name: MolLogP
dtype: float64
- name: NumHeteroatoms
dtype: int64
- name: RingCount
dtype: int64
- name: NumRotatableBonds
dtype: int64
- name: NumAromaticBonds
dtype: int64
- name: NumAcidGroups
dtype: int64
- name: NumBasicGroups
dtype: int64
- name: Apol
dtype: float64
splits:
- name: train
num_bytes: 6764409
num_examples: 40999
- name: test
num_bytes: 881559
num_examples: 5128
- name: validation
num_bytes: 825326
num_examples: 5128
download_size: 2440791
dataset_size: 8471294