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 | |