Robert Shaw
Machine Learning Lead at RevoNA Bio
London, England, United Kingdom
Summary
👤
Senior🎓
Top SchoolRobert Shaw is a Machine Learning Lead with nine years of interdisciplinary research and industry experience spanning mathematics, theoretical chemistry, and high-performance computing. He specialises in building and rigorously analysing complex statistical and physical models, deploying both traditional and cutting-edge ML techniques on GPUs and HPC clusters. In industry roles he has bridged experiment and modelling in drug discovery, enabling rapid feedback loops between lab scientists and ML teams while engineering scalable cheminformatics solutions. His academic background includes a PhD in Theoretical Chemistry and multiple research fellowships across Sheffield, Melbourne, Oxford and Bristol, where he developed open-source scientific software and supervised students. Beyond core research he co-developed an outreach app and has a public GitHub showcasing his large-scale modelling tools, reflecting a commitment to reproducible, community-facing code. Colleagues value him for translating dense mathematical ideas into practical, production-ready systems that accelerate interdisciplinary science.
9 years of coding experience
4 years of employment as a software developer
Master's degree Mathematics, Master's degree Mathematics at The Open UniversityMaster’s Degree Theoretical and Computational Chemistry, Master’s Degree Theoretical and Computational Chemistry at University of OxfordDoctor of Philosophy (Ph.D.) Theoretical Chemistry, Doctor of Philosophy (Ph.D.) Theoretical Chemistry at The University of Sheffield
Github Skills (17)
quantum-chemistry10
python10
computational-chemistry10
chemistry10
physics10
cpp10
code-structure6
open-access5
journal5
creative-commons4
academia3
materials-informatics1
computational-physics1
theory1
jupyter1
Programming languages (4)
Github contributions (5)
robashaw/libecpint
Sep 2020 - Apr 2021
A C++ library for the efficient evaluation of integrals over effective core potentials.
Contributions:10 releases, 7 reviews, 13 commits in 6 months
cpp
robashaw/basisopt
Apr 2021 - Jan 2023
Basis set optimization library for quantum chemistry
Contributions:4 releases, 7 reviews, 5 commits in 1 year 9 months
quantum-chemistry
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