I am a Ph.D. candidate at Colorado State University using Python to automate computational chemistry tasks, data processing, feature development and collection.
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Computational Chemistry Graduate Student
at Colorado State University
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Colorado State University
- https://www.linkedin.com/in/guilianluchini/
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patonlab/GoodVibes
patonlab/GoodVibes PublicCalculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
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patonlab/DBSTEP
patonlab/DBSTEP PublicDBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format
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patonlab/pyX-Struct
patonlab/pyX-Struct PublicPython tool for scraping geometric X-ray Data from the Cambridge Structural Database
Python 7
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