Deep learning for collective variables.
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Updated
Nov 20, 2023 - Python
Deep learning for collective variables.
A package to find collective variables of dynamical systems by training neural networks
Predictive collective variable discovery with deep Bayesian models for atomistic systems.
Useful Collective Variables for OpenMM
Unified Free Energy Dynamics (UFED) simulations with OpenMM
A unified framework for machine learning collective variables for enhanced sampling simulations
Python Suite for Advanced General Ensemble Simulations
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