Jerome Eberhardt
Computational Chemist
Hégenheim, Grand Est, France
Summary
👤
Senior🎓
Top SchoolJerome Eberhardt is a computational chemist with over a decade of experience at the intersection of structural biology, biophysics and bioinformatics, currently applying his expertise to drug discovery at VantAI. He holds a PhD focused on molecular dynamics of nuclear receptor ligand-binding domains and has translated that academic work into applied tools and collaborations, including a postdoc at the Biozentrum and high-impact contributions at Scripps. Jerome combines hands-on method development—evidenced by WaterKit and his engineering work on AutoDock Vina Python bindings and CLI enhancements—with a track record of successful experimental collaborations and top rankings in community docking challenges. Comfortable bridging research and production, he brings deep domain knowledge of protein conformational dynamics, practical automation skills, and a knack for visual detail (his favorite PyMOL palettes are tv_green and skyblue).
10 years of coding experience
8 years of employment as a software developer
Thèse de doctorat, Structural Biology, Thèse de doctorat, Structural Biology at Université de Strasbourg
French, English
Github Skills (10)
python-bindings10
python10
build-automation10
cprogramming-language9
c-language9
gnu-make8
github-ci8
documentation8
makefile8
githubaction-workflow8
Programming languages (3)
Github contributions (5)
ccsb-scripps/AutoDock-Vina
May 2020 - Sep 2021
AutoDock Vina
Role in this project:
Back-end Developer & Automation Engineer
Back-end Developer & Automation EngineerContributions:5 releases, 8 reviews, 146 commits in 1 year 3 months
Contributions summary:Jerome implemented and refactored code related to python bindings for the AutoDock Vina software, and integrated the python code in the project. The user also added command-line interface functionality to the package. Additional changes include improvements to the documentation of the project. Furthermore, changes to the build process to ensure a successful building of Python wheels for manylinux and macOS were made by the user.
autodock-vinaautodockvinavitevue
forlilab/waterkit
Oct 2017 - Jan 2023
Tool to predict water molecules placement and energy in ligand binding sites
Contributions:534 commits, 24 pushes, 23 comments in 5 years 3 months
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