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Collin Hansen's Projects

aqme icon aqme

Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and command lines, including: 1) RDKit- and CREST-based conformer generation, 2) QM input file creation, 3) post-processing of QM output files, 4) generation of xTB, DFT and RDKit descriptors

pd1 icon pd1

Look in README.md for more info

theory-suite-wiki icon theory-suite-wiki

This repository holds the source files and html files of a documentation webpage made by the members of the Patonlab and BioE-KimLab at CSU

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