Topic: collective-variables Goto Github
Some thing interesting about collective-variables
Some thing interesting about collective-variables
collective-variables,Collective variables library for molecular simulation and analysis programs
Organization: colvars
Home Page: http://colvars.github.io/
collective-variables,Unified Free Energy Dynamics (UFED) simulations with OpenMM
User: craabreu
Home Page: https://craabreu.github.io/ufedmm/
collective-variables,Permutationally invariant networks for enhanced sampling (PINES)
Organization: ferg-lab
collective-variables,Use Gaussian processes as collective variables in molecular simulations with NAMD. Moved to https://git.sr.ht/~jmbr/colvars-gaussian-processes
User: jmbr
Home Page: https://git.sr.ht/~jmbr/colvars-gaussian-processes
collective-variables,A unified framework for machine learning collective variables for enhanced sampling simulations
User: luigibonati
collective-variables,
Organization: markovmodel
collective-variables,Using supervised machine learning to build collective variables for accelerated sampling
User: msultan
collective-variables,Predictive collective variable discovery with deep Bayesian models for atomistic systems.
Organization: pkmtum
Home Page: https://arxiv.org/abs/1809.06913
collective-variables,Deep learning for collective variables.
User: rangsimanketkaew
Home Page: https://lubergroup.pages.uzh.ch/deepcv/
collective-variables,Useful Collective Variables for OpenMM
Organization: redesignscience
Home Page: https://redesignscience.github.io/cvpack/latest
collective-variables,Platform-agnostic OpenMM Forces
Organization: redesignscience
Home Page: https://redesignscience.github.io/openmm-cpp-forces/
collective-variables,Python Suite for Advanced General Ensemble Simulations
Organization: ssageslabs
collective-variables,Software Suite for Advanced General Ensemble Simulations
Organization: ssagesproject
collective-variables,A package to find collective variables of dynamical systems by training neural networks
User: zwpku
Home Page: https://colvars-finder.readthedocs.io/en/latest/
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