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Search results for enhanced sampling collective variables
collective-variables
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enhanced-sampling
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7 search results found
Colvars
⭐
167
Collective variables module for molecular simulation and analysis programs
Ssages
⭐
80
Software Suite for Advanced General Ensemble Simulations
Mlcolvar
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69
A unified framework for machine learning collective variables for enhanced sampling simulations
Pysages
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33
Python Suite for Advanced General Ensemble Simulations
Ufedmm
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20
Unified Free Energy Dynamics (UFED) simulations with OpenMM
Sml_cv
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14
Using supervised machine learning to build collective variables for accelerated sampling
Cvpack
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6
Useful Collective Variables for OpenMM
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1-7 of 7 search results
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