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Yi-Shu Tu's repositories

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This repo is for the Linkedin Learning course: Advanced Python: Language Features

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Parsers and algorithms for computational chemistry logfiles

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Live version of lab website

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Source code and datasets of G.A.M.E. - GPU-Accelerated Mixture Elucidator

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A deep learning framework for molecular docking

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Inner- and Outer Recursive Neural Networks for Chemoinformatics

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NWChem Documentation

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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

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Sphinx-based documentation for the Open Babel project

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OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

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OpenMM is a toolkit for molecular simulation using high performance GPU code.

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The official sources for the RDKit library

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RDKit platform python wheels

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Yi-shu Tu github webpage

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