John Irwin
Associate Professor
San Francisco, California, United States
Summary
👤
Senior🎓
Top SchoolJohn Irwin is an associate professor and serial founder specializing in structure-based drug discovery, virtual screening, and cheminformatics, with a decade of focused experience building production-grade tools and databases for ligand discovery. He leads the teams behind widely used resources such as ZINC (ready-to-dock purchasable molecules), DOCK Blaster, SEA for target prediction, and benchmarking suites like DUDE, and translates that academic work into commercial services through SeaChange Pharmaceuticals and Blue Dolphin Lead Discovery. Based in San Francisco, he combines hands-on software and database development with teaching and international workshops, enabling both academic collaborators and biotech clients to find and repurpose bioactive small molecules. A chemist by training (BSc/MSc, PhD), he has a rare mix of deep domain expertise in metalloenzymes and practical engineering that powers high-throughput docking and off-target prediction tools used across thousands of targets.
10 years of coding experience
17 years of employment as a software developer
B.Sc., Chemistry / Biochemistry, B.Sc., Chemistry / Biochemistry at University of TorontoPhD, Organic Chemistry, PhD, Organic Chemistry at ETH
English, German, French
Github Skills (11)
rdkit10
cheminformatics10
python9
datasets7
aws6
zinc1
image-server1
jekyll1
mouse1
web-application1
wizard1
Programming languages (5)
Github contributions (5)
docking-org/OICR-ZINC
Nov 2015 - Mar 2018
Contributions:4 commits, 5 PRs, 3 pushes in 2 years 3 months
dccoicricgczinc
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