OndrejMarsalek/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
Schroedinger equation in 1D using DVR with the Fourier sine basis
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A modern, open library for the analysis of molecular dynamics trajectories
MolMod is a collection of molecular modelling tools for python.
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Development version of plumed 2