tmol is an ongoing development experiment in biomolecular modeling and
design. We stand on the shoulders of giants, with the goal of implementing
an equivalent version of the Rosetta all atom energy
function via
a PyTorch/PyData stack to
provide a modern, easy-to-use, cuda-compatible environment for molecular
modeling.
See our wiki for details on our development environment, system architecture, and development workflow.
See our docs for package documentation.