Paolo Tosco
AD & Senior Principal Scientist Data Science
Basel, Basel-City, Switzerland
Summary
🤩
Rockstar🎓
Top SchoolPaolo Tosco is a senior data science and computational chemistry leader with over a decade of experience translating advanced molecular modeling into drug discovery impact at Novartis and in industry. With a PhD in Medicinal Chemistry and a foundation in organic synthesis, he uniquely bridges wet-lab insight and hands-on scientific programming (C/C++, Python, FORTRAN) to deliver production-grade tools and methods. He has built and maintained open-source platforms such as Open3DALIGN/Open3DQSAR and contributed bug fixes, force-field implementations and test automation to the widely used RDKit library. Paolo’s expertise spans structure- and ligand-based design, QM/MM and MD simulations, and scalable HPC/cloud deployments, enabling end-to-end computational support for projects. Colleagues value him for shipping robust, reproducible software as well as for bringing experimental rigor to computational workflows. Based in Basel, he combines academic depth with industrial delivery, often surfacing subtle methodological fixes that improve both accuracy and maintainability.
11 years of coding experience
18 years of employment as a software developer
Doctor of Philosophy (PhD), Medicinal Chemistry and Pharmaceutical Technology, Doctor of Philosophy (PhD), Medicinal Chemistry and Pharmaceutical Technology at University of Turin
Github Skills (5)
unit-testing10
debug10
c-language10
cprogramming-language10
python10
Programming languages (10)
Github contributions (5)
rdkit/rdkit
Jan 2015 - Jan 2023
The official sources for the RDKit library
Role in this project:
Back-end Developer & Test Automation Engineer
Back-end Developer & Test Automation EngineerContributions:410 reviews, 438 commits, 408 PRs in 8 years 1 month
Contributions summary:Paolo's contributions to the RDKit project primarily involved bug fixes and refactoring, including corrections in the MMFF and UFF force fields and their respective constraint tests. Their work also extended to improving the core functionality, as evidenced by the implementation of new features and the correction of issues with existing features like the depiction of R-groups. The user demonstrated strong skills in test automation, adding and enhancing unit tests for various functionalities within the library.
cheminformaticsrdkitpythonc-plus-plussources
ptosco/openmm
Oct 2016 - Feb 2022
Contributions:32 pushes, 3 branches in 5 years 5 months
cudaopenmmgpusimulationmolecular
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