plumed
There are 14 repositories under plumed topic.
plumed/plumed2
Development version of plumed 2
liyigerry/gmx
molecular dynamics simulation and analysis. 分子动力学模拟和分析。
msultan/SML_CV
Using supervised machine learning to build collective variables for accelerated sampling
rebelot/schrodinger_utils
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
msultan/tf_metadynamics
Using neural networks for enhanced sampling in computational biophysics
ajaymur91/CLIPS
Fast estimation of ion-pairing for screening electrolytes
plumed-nest/plumed-nest
The PLUMED-NEST repository
Ferg-Lab/pines
Permutationally invariant networks for enhanced sampling (PINES)
sivadasetty/containers
singularity definitions of GROMACS
hejops/metadynamics
Run metadynamics simulations and analyse free energy surfaces
weiHelloWorld/plumed_additional
Additional plumed plugins
sbhakat/colvar
A package that allows you to read COLVAR output from Plumed and access data
alec-glisman/Simulation-Two-Chain-PAA
Simulate interactions between two fully-charged PAA chains with varying amounts of CaCl2 added
Iximiel/plumed-school-benchmark
A small tutorial for using plumed benchmark