Hello, I'm Leo, a Ph.D. candidate at Emory University's Liu Lab, focusing on integrating machine learning into chemical discovery.
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AutoSolvate Public
Forked from Liu-group/AutoSolvateAutomated workflow for generating quantum chemistry calculation of explicitly solvated molecules
Python BSD 3-Clause "New" or "Revised" License UpdatedMay 9, 2024 -
NBO-Parser Public
Development of smart output parsers for quantum chemistry calculations involving transition metal complexes using python.
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Chemistry-Murder-Mystery Public
This is a game project that focus on reinforcing students' chemistry knowledge while having fun by solving murder mystery.
Python UpdatedJul 4, 2022