Development version of plumed 2
Collective variables library for molecular simulation and analysis programs
Software Suite for Advanced General Ensemble Simulations
🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains
An OpenMM plugin for slicing nonbonded interactions based on particle classification
Permutationally invariant networks for enhanced sampling (PINES)
C++ implementation of metadynamics simulation on a potential energy surface
Plugin for OpenMM providing simulation data wrappers as DLPack data structures
Development version of PLUMED 2 which includes the VES code for performing variationally enhanced sampling simulations
Wrapper for HOOMD-blue simulation data into DLPack data structures
Additional plumed plugins
Wrapper for LAMMPS simulation data into DLPack data structures
Platform-agnostic OpenMM Forces
C++ code for optimising coefficients of individual CVs for PCV MD simulations.
Add a description, image, and links to the enhanced-sampling topic page so that developers can more easily learn about it.
To associate your repository with the enhanced-sampling topic, visit your repo's landing page and select "manage topics."