Machine Learning in Computational Biology: Daily Digest

12.12.2025: Optimal Transport, Autonomous Molecular Dynamics, and Atom-Level Diffusion for Protein Modeling


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0:00 DynaMate: An Autonomous Agent for Protein-Ligand Molecular Dynamics Simulations (https://arxiv.org/pdf/2512.10034.pdf)
4:54 UNAAGI: Atom-Level Diffusion for Generating Non-Canonical Amino Acid Substitutions (https://arxiv.org/pdf/2512.10515.pdf)
9:37 Optimal transport unlocks end-to-end learning for single-molecule localization (https://arxiv.org/pdf/2512.10683.pdf)
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