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METALICA: METAdynamics and repLICA exchange for enhanced diffusion sampling

This story is from 2026-09-17. It is preserved in the archive; the latest stories are on the live feed.

arXiv:2609.17823v1 Announce Type: new Abstract: Many proteins function through transitions between conformational states, yet rare states are rarely sampled by diffusion models trained on an equilibrium ensemble, demanding better sampling methods. We introduce METALICA, which implements Metadynamic…

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  1. 2026-09-17 04:00 · arXiv stat.ML
    METALICA: METAdynamics and repLICA exchange for enhanced diffusion sampling

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