FEAT: Free energy Estimators with Adaptive Transport
Paper
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2504.11516
•
Published
•
1
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Dataset Details
Dataset Description
This dataset contains a benchmark for estimating the free energy difference for small molecular systems.
- Curated by: Jiajun He
- License: MIT
Dataset Sources
- Repository: https://github.com/jiajunhe98/FEAT
- Paper: https://arxiv.org/abs/2504.11516
Citation
BibTeX:
@inproceedings{he2025feat,
title = {FEAT: Free energy Estimators with Adaptive Transport},
author = {He, Jiajun and Du, Yuanqi and Vargas, Francisco and Wang, Yuanqing and Gomes, Carla P. and Hern{\'a}ndez-Lobato, Jos{\'e} Miguel and Vanden-Eijnden, Eric},
booktitle = {Advances in Neural Information Processing Systems},
year = {2025},
}
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