Topic: plumed Goto Github
Some thing interesting about plumed
Some thing interesting about plumed
plumed,Fast estimation of ion-pairing for screening electrolytes
User: ajaymur91
plumed,Simulate interactions between two fully-charged PAA chains with varying amounts of CaCl2 added
User: alec-glisman
plumed,Permutationally invariant networks for enhanced sampling (PINES)
Organization: ferg-lab
plumed,Run metadynamics simulations and analyse free energy surfaces
User: hejops
plumed,Using supervised machine learning to build collective variables for accelerated sampling
User: msultan
plumed,Using neural networks for enhanced sampling in computational biophysics
User: msultan
plumed,The PLUMED-NEST repository
Organization: plumed-nest
plumed,Development version of plumed 2
Organization: plumed
Home Page: https://www.plumed.org
plumed,Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
User: rebelot
plumed,A package that allows you to read COLVAR output from Plumed and access data
User: sbhakat
plumed,singularity definitions of GROMACS
User: sivadasetty
plumed,Additional plumed plugins
User: weihelloworld
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