---
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](https://arxiv.org/abs/2504.08859)** (ICML 2025).

## Contents

```
dataset
├── true_confs/          # Ground-truth conformations (SDF)
├── dict.txt
├── test.lmdb
├── valid.lmdb
├── train.lmdb
└── test_data_index.csv
```

## Citation

```bibtex
@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/