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