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Jun 18, 2020 - Python
collective-variables
Here are 8 public repositories matching this topic...
Predictive collective variable discovery with deep Bayesian models for atomistic systems.
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Oct 23, 2020 - Python
A package to find collective variables of dynamical systems by training neural networks
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Aug 22, 2023 - Python
Deep learning for collective variables.
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Nov 20, 2023 - Python
Unified Free Energy Dynamics (UFED) simulations with OpenMM
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Mar 9, 2024 - Python
Useful Collective Variables for OpenMM
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May 9, 2024 - Python
A unified framework for machine learning collective variables for enhanced sampling simulations
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Jun 14, 2024 - Python
Python Suite for Advanced General Ensemble Simulations
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Jun 21, 2024 - Python
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