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niklastr/many_peptides_forces

Many Peptides Forces A fork of the ManyPeptidesMD single-frame WebDataset in which every frame carries AMBER14 + OBC1 implicit-solvent potential energies and forces in addition to the original atom coordinates. Citation If you use this dataset please cite: Langevin Flow Maps: Efficient Molecular Dynamics and Transition Path Sampling Amortized Sampling with Transferable Normalizing Flows.

Author / organizationniklastr
License (as declared)cc-by-4.0
Downloads533 (as reported by Hugging Face)
Likes1
Created2 September 2026
Last updated at source14 October 2026
molecular-dynamicspeptideswebdatasetforce-fieldmachine-learning
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