/tools/seekr2
seekr2
seekrcentral/seekr2
35 stars9 forksPythonAdded February 8, 2026
summary
SEEKR2 is a tool designed for multiscale milestoning to compute molecular thermodynamics and kinetics. It enables users to prepare and run simulations using various molecular dynamics engines to analyze processes such as ligand binding and membrane permeability.
description
Simulation-Enabled Estimation of Kinetic Rates - Version 2
topics
seekr2-openmm-pluginopenmmnamd2md-simulationsconda
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