/tools/UniSim

UniSim

yaledeus/UniSim

14 stars4 forksPythonAdded February 5, 2026
summary

UniSim is a unified simulator designed for time-coarsened dynamics of biomolecules, utilizing generative models to simulate molecular interactions. It provides tools for training and evaluating models on various datasets related to small molecules and proteins.

description

This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML 2025.

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