Pat Walters
Chief Scientist at OpenADMET
Cambridge, Massachusetts, United States
Summary
🤩
Rockstar🎓
Top SchoolPat Walters is a Chief Scientist with 13+ years in computational drug discovery and a decades-long foundation in chemistry, holding a Ph.D. in organic chemistry from the University of Arizona. He has led large, multidisciplinary teams at Vertex and Relay Therapeutics, advancing molecular modeling, cheminformatics, and data-driven discovery while running global research strategy and operations. At Relay he progressed from senior scientist roles to Chief Data Officer, and now directs scientific strategy at OpenADMET, blending leadership with hands-on computational expertise. Pat contributes to practical cheminformatics education—authoring and improving SMARTS/SMILES Jupyter tutorials—showing a commitment to making complex cheminformatics accessible. He is comfortable managing budgets, software ecosystems, and enterprise-scale informatics platforms, having designed production systems used across multi-site research organizations. Known for translating deep chemistry knowledge into pragmatic software and data solutions, he bridges academic rigor with industry delivery.
13 years of coding experience
3 years of employment as a software developer
The University of ArizonaB.S. Chemistry, B.S. Chemistry at UC Santa Barbara
Github Skills (9)
smile10
rdkit10
smil10
jupyter-notebook10
cheminformatics10
python9
data-visualization8
data-visualisation8
data-visualizations8
Programming languages (5)
Github contributions (5)
PatWalters/practical_cheminformatics_tutorials
Mar 2022 - Dec 2022
Practical Cheminformatics Tutorials
Role in this project:
Data Scientist
Data ScientistContributions:84 commits, 2 PRs, 187 pushes in 8 months
Contributions summary:Pat's commits primarily involve modifications to a Jupyter Notebook tutorial focused on introducing the SMILES ARbitrary Target Specification (SMARTS) language. The changes include additions of data and images, likely to enhance the tutorial's instructional value. The user also updated the notebook to include the installation of the necessary Python packages.
cheminformaticspractical
PatWalters/rd_filters
Aug 2018 - Oct 2021
A script to run structural alerts using the RDKit and ChEMBL
Contributions:1 review, 19 commits, 4 PRs in 3 years 2 months
rdkitchemblalertsstructural
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