atomicarchitects / DeNS

[TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields

Date Created 2024-07-22 (5 months ago)

Commits 5 (last one 10 days ago)

Stargazers 26 (0 this week)

Watchers 5 (0 this week)

Forks 2

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RepositoryStats indexes 598,436 repositories, of these atomicarchitects/DeNS is ranked #587,771 (2nd percentile) for total stargazers, and #336,489 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #117,754/120,139.

atomicarchitects/DeNS is also tagged with popular topics, for these it's ranked: graph-neural-networks (#584/594), molecular-dynamics (#120/121), drug-discovery (#120/120), computational-chemistry (#106/106)

Other Information

Homepage URL: https://arxiv.org/abs/2403.09549

All Topics

e3nn force-fields drug-discovery molecular-dynamics graph-neural-networks denoising-autoencoders computational-chemistry geometric-deep-learning self-supervised-learning equivariant-graph-neural-network

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updated: 2024-12-28 @ 10:34am, id: 832014894 / R_kgDOMZeKLg