/tools/OM-TPS

OM-TPS

ASK-Berkeley/OM-TPS

model simulation tool molecular-dynamics

26 stars0 forksJupyter NotebookAdded February 5, 2026

summary

OM-TPS implements a method for efficient transition path sampling by repurposing pre-trained generative models. It utilizes the Onsager-Machlup functional to find maximum likelihood paths in molecular systems, making it applicable for studying molecular dynamics.

description

[ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) action

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