File size: 656 Bytes
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dataset_info:
features:
- name: key
dtype: string
- name: mol_id
dtype: string
- name: en_id
dtype: string
- name: n_conformers
dtype: int64
- name: offset
dtype: int64
- name: mol_blocks
list: string
splits:
- name: train
num_bytes: 333811320
num_examples: 14903
download_size: 96007912
dataset_size: 333811320
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
# 3DCS Chirality Dataset
This dataset stores chirality conformers in MolBlock format with 3D coordinates.
- Fields: key, mol_id, en_id, n_conformers, offset, mol_blocks
- Source: 3DCS benchmark
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