metadata
dataset_info:
features:
- name: key
dtype: string
- name: shard
dtype: int32
- name: n_conformers
dtype: int32
- name: offset
dtype: int64
- name: mol_blocks
list: string
- name: torsion_deg
list: float32
splits:
- name: train
num_bytes: 26639308995
num_examples: 1559779
download_size: 7531603014
dataset_size: 26639308995
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
3DCS Rotation Dataset
This dataset stores rotation conformers in MolBlock format with torsion angles.
- Fields: key, shard, n_conformers, offset, mol_blocks, torsion_deg
- Source: 3DCS benchmark