Template for JAX projects using Cookiecutter

Numerical experiments for optimizing free energy perturbation paths via thermodynamic geometry

Library for experimentation with manifold learning methods

Source code accompanying paper on gentlest ascent dynamics on manifolds defined by point-clouds

Simple example of Milestoning

Solver for the committor equation using the finite element method. Uses FEniCS and a potential of mean force obtained by colvars.

Rule-based task execution system

Tool for printing call graphs

Jupyter notebooks prepared for the students of the CECAM School on Molecular Kinetics in Lausanne, Switzerland (August 2016)

Code for numerical experiments using Langevin Dynamics with constraints

Notes written while working my way through the source code of the SBCL compiler

Milestoning tool

REGEX-TRACE is a Common Lisp macro that TRACEs functions that match a given regular expression

Simple Maple command-line interface for Emacs

Convert decks of flashcards written in LaTeX to Anki