You can also install directly from the git repo. It is recommended to use astrals uv. festo-cpx-io is the main entry point to the CLI. It supports various subcommands ...

Abstract: Bayesian inference provides a methodology for parameter estimation and uncertainty quantification in machine learning and deep learning methods. Variational inference and Markov Chain ...

kmcos is designed for lattice based Kinetic Monte Carlo simulations to understand chemical kinetics and mechanisms. It has been used to produce more than 10 scientific publications. Links to tutorials ...