Benoît Baillif
Research Associate
Cambridge, England, United Kingdom
Summary
👤
Senior🎓
Top SchoolBenoît Baillif is a computational chemist and research associate with nine years of experience combining machine learning, atomistic neural networks, and 3D structural data to push drug discovery methods from theory toward application. During a PhD at the University of Cambridge he developed models to bias conformer ensembles toward bioactive-like poses, benchmarked 3D molecular generative methods, and explored SOAP descriptors for protein–ligand prediction, work that spans publications and a drafted benchmarking manuscript. Now at Astex Pharmaceuticals, he focuses on pocket-conditioned 3D generation and fragment-growing with reinforcement learning, bridging academic rigor with industry-facing objectives. His background in data engineering and transcriptomics-driven prediction at Bayer gives him uncommon fluency between large-scale data management and bespoke molecular modeling.
8 years of coding experience
2 years of employment as a software developer
Two-year technical degree, Biomedical Technology/Technician, Two-year technical degree, Biomedical Technology/Technician at IUT Dijon-Auxerre-NeversDoctor of Philosophy - PhD, Computational chemistry, Doctor of Philosophy - PhD, Computational chemistry at University of Cambridge Yusuf Hamied Department of ChemistryEngineer's degree, Biomathematics, Bioinformatics, and Computational Biology, Engineer's degree, Biomathematics, Bioinformatics, and Computational Biology at Polytech Nice Sophia
French, English, Spanish
Github Skills (7)
python6
cheminformatics6
rdkit5
machine-learning3
cuda1
deep-learning1
gpu1
Programming languages (3)
Github contributions (5)
bbaillif/pytorch_dl4chem-geometry
Jan 2021 - Feb 2022
Contributions:19 commits, 6 pushes, 1 comment in 1 year
bbaillif/target_prediction_L1000_signatures
May 2020 - Feb 2021
Contributions:5 commits, 2 pushes, 1 branch in 9 months
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