MOlecular Dynamics Over Ip - A boundary value problem solver for Newtons second law in the context of molecular systems. Parallelisation is achieved through TCP/IP. This is the sister project of GeometricMD.
A SciPy tool for computing geodesics in an isotropic Riemannian manifold of arbitrary dimension. It implements the Birkhoff curve shortening algorithm for finding global geodesics.
A Geometric Method for Molecular Dynamics based on the Maupertuis principle. A parallel Python script which performs molecular dynamics calculations solving transition path problems. It uses the Atomistic Simulation Environment to describe molecular systems and their calculator to determine forces and potential energies.