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Name: Collin Hansen
Type: User
Company: Computational Chemistry
Bio: Truman State University Colorado State University
Location: Fort Collins
Name: Collin Hansen
Type: User
Company: Computational Chemistry
Bio: Truman State University Colorado State University
Location: Fort Collins
2021 Summer // Kim & Paton Group Coding Camp Materials
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
Look in README.md for more info
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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