Mingyi Xue
Senior Scientist at Schrödinger
Madison, Wisconsin, United States
Summary
👤
Senior🎓
Top SchoolMingyi Xue is a Senior Scientist with a decade of experience at the intersection of cheminformatics, bioinformatics, and deep learning for drug discovery and protein design. Currently at Schrödinger, he brings practical expertise in fine-tuning protein language models (ESM2) with contrastive learning and uncertainty estimation, and in applying state-of-the-art structure predictors (ESMFold, Chai-1, Boltz-2) with OpenMM for high-quality structural refinement. His background blends a PhD in Chemistry and an MS in Computer Science from UW–Madison with hands-on R&D across academia and industry, including mentoring and leading junior scientists. He also builds reproducible teaching and tooling—maintaining an mlchem course repo with CI/CD for automated course website releases—highlighting his drive to make advanced methods accessible and production-ready.
9 years of coding experience
Exchange, Chemistry, Exchange, Chemistry at University of California, DavisDoctor of Philosophy - PhD, Chemistry, Doctor of Philosophy - PhD, Chemistry at University of Wisconsin-MadisonBsc, Chemistry, Bsc, Chemistry at Nanjing UniversityHong Kong University of Science and Technology (HKUST)
Github Skills (39)
simulation10
python10
molecular-simulation10
simulations10
computational-chemistry10
sequence-alignment10
dynamics10
molecular-dynamics-simulation10
phylogenetics10
bioinformatics10
protein-structure10
genomics10
science10
git-repository9
cvs9
Programming languages (3)
Github contributions (5)
Mrqeoqqt/chemdistiller
Apr 2018 - Jul 2018
Contributions:31 commits, 25 pushes, 1 branch in 3 months
Mrqeoqqt/physical-chemistry-experiment-reports
Mar 2019 - Aug 2019
Contributions:31 commits, 3 pushes, 1 comment in 5 months
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