metadata
license: gpl-3.0
task_categories:
- other
tags:
- polymer
- conformation-generation
- molecular-dynamics
- chemistry
pretty_name: PolyConf Dataset
size_categories:
- 1K<n<10K
PolyConf Dataset
Processed dataset for PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models (ICML 2025).
Contents
dataset
├── true_confs/ # Ground-truth conformations (SDF)
├── dict.txt
├── test.lmdb
├── valid.lmdb
├── train.lmdb
└── test_data_index.csv
Citation
@inproceedings{wang2025polyconf,
title={PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models},
author={Wang, Fanmeng and Guo, Wentao and Ou, Qi and Wang, Hongshuai and Lin, Haitao and Xu, Hongteng and Gao, Zhifeng},
booktitle={International Conference on Machine Learning},
pages={63002--63015},
year={2025},
organization={PMLR}
}
Links
- Paper: https://arxiv.org/abs/2504.08859
- Project: https://polyconf-icml25.github.io/