nxtloveev3
Hello, I'm Leo, a Ph.D. candidate at Emory University's Liu Lab, focusing on integrating machine learning into chemical discovery.
Pinned Repositories
AutoSolvate
Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
AutoSolvate
Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
Chemistry-Murder-Mystery
This is a game project that focus on reinforcing students' chemistry knowledge while having fun by solving murder mystery.
NBO-Parser
Development of smart output parsers for quantum chemistry calculations involving transition metal complexes using python.
nxtloveev3's Repositories
nxtloveev3/NBO-Parser
Development of smart output parsers for quantum chemistry calculations involving transition metal complexes using python.
nxtloveev3/AutoSolvate
Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules
nxtloveev3/Chemistry-Murder-Mystery
This is a game project that focus on reinforcing students' chemistry knowledge while having fun by solving murder mystery.