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An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with enhanced-sampling
A curated list of projects in awesome lists tagged with enhanced-sampling .
https://github.com/plumed/plumed2
Development version of plumed 2
c-plus-plus enhanced-sampling free-energy molecular-dynamics plugin plumed plumed2 trajectory-analysis
Last synced: 03 Jan 2025
https://github.com/Colvars/colvars
Collective variables library for molecular simulation and analysis programs
collective-variables enhanced-sampling free-energy gromacs lammps molecular-dynamics namd simulation tinkerhp vmd
Last synced: 16 Nov 2024
https://github.com/luigibonati/mlcolvar
A unified framework for machine learning collective variables for enhanced sampling simulations
collective-variables data-driven enhanced-sampling machine-learning python
Last synced: 13 Nov 2024
https://github.com/danieljsharpe/DISCOTRESS
🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains
continuous-time-markov-chain ctmc dtmc enhanced-sampling k-shortest-paths kinetic-monte-carlo markov-chain markov-chains markov-model markov-process markovian-dynamics network-dynamics random-walk rare-events simulation simulation-algorithms stochastic-processes stochastic-simulation stochastic-simulation-algorithm
Last synced: 30 Oct 2024
https://github.com/redesignscience/cvpack
Useful Collective Variables for OpenMM
collective-variables enhanced-sampling metadynamics molecular-dynamics openmm
Last synced: 28 Nov 2024
https://github.com/redesignscience/openmm-cpp-forces
Platform-agnostic OpenMM Forces
collective-variables enhanced-sampling molecular-dynamics openmm
Last synced: 28 Nov 2024