Protein Unit Dataset Plus (PUD+)
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资源简介：
Ab initio-sampled conformations of the 20 standard amino acids as ACE/NME-capped dipeptides and ACE-NME, labeled with potential energy and per-atom forces for both AI-driven and classical MD simulation. BB and SC sampling each contain ~20M conformations, ~40M in total.
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Zenodo创建时间：
2026-08-11
