EscheWang/3dcs-rotation
收藏Hugging Face2026-01-30 更新2026-03-29 收录
下载链接：
https://hf-mirror.com/datasets/EscheWang/3dcs-rotation
下载链接
链接失效反馈官方服务：
资源简介：
---
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
提供机构：
EscheWang
