Aayush Gupta
Machine Learning Scientist II (Computational Chemistry)
Chicago, Illinois, United States
Summary
👤
Senior🎓
Top SchoolAayush Gupta is a machine learning scientist and computational chemist with nine years of experience applying AI, molecular simulation, and full-stack engineering to accelerate drug discovery. He has built production-grade MD and end-state free energy pipelines (OpenMM/Amber), engineered a 300x high-throughput MD screening speedup, and contributed hybrid AI/quantum methods while bridging ML teams and medicinal chemists. His work has supported fundraising milestones and shipped open-source research (e.g., collaboration on physicsml at Exscientia), reflecting a rare blend of hands-on coding, cloud deployment, and physics-first modeling. Based in Chicago, he pairs a PhD in computational chemistry with startup incubation experience, routinely moving ideas from rapid prototyping and customer discovery to scalable research platforms. An often-overlooked strength is his track record of removing vendor dependencies by reimplementing critical prep and analysis modules, improving reproducibility and speed across teams.
9 years of coding experience
10 years of employment as a software developer
Bachelor of Chemical Technology Chemical Technology, Bachelor of Chemical Technology Chemical Technology at Institute Of Chemical TechnologyDoctor of Philosophy (PhD) Computational Chemistry, Doctor of Philosophy (PhD) Computational Chemistry at University of Illinois Chicago
English, Hindi
Stackoverflow
32reputation
6kreached
9answers
1question
Github Skills (52)
texture9
llama8
widgets7
image-processing7
modals7
aem7
computer-vision6
datepicker6
html6
sortable6
adb6
adobe-experience-manager6
automation6
android6
css6
Programming languages (6)
Github contributions (5)
AayushG159/Plant-Leaf-Identification
Apr 2018 - Aug 2020
Identification of plants through plant leaves on the basis of their shape, color and texture features using digital image processing techniques
Contributions:7 commits, 1 PR, 5 pushes in 2 years 4 months
planttechniquespythoncomputer-visiondigital-image-processing
AayushG159/Spotify_Audio_Analysis
Oct 2024 - Dec 2024
Contributions:6 pushes, 1 branch in 2 months
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