HITS-MBM/gromacs-fda-vmd

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Created almost 5 years ago
Updated almost 5 years ago

HITS-MBM/gromacs-fda-vmd

HITS-MBM

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VMD plugins to visualize pairwise forces and atomic stress

conan

Analysis of contacts in molecular dynamics trajectories

gromacs-fda

Force Distribution Analysis (FDA) for GROMACS

kimmdy

reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

HAT_prediction_GNN

Graph NN models for predicting HAT energy barriers