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TMol

License: Apache License 2.0

Jupyter Notebook 80.38% Python 13.11% Shell 0.08% Dockerfile 0.03% C++ 5.57% Cuda 0.81% Hack 0.02%

tmol's Introduction

ToyMol

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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.

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