Christoph Klein
Senior Director Software Engineering at insitro
South San Francisco, California, United States
Summary
👤
Senior🎓
Top SchoolChristoph Klein is a senior software and computational leader with 12 years of experience building ML-driven therapeutics and genomics platforms from South San Francisco. He currently leads modality-agnostic therapeutics ML and software engineering at insitro, unifying models and pipelines that turn diverse biological data—imaging, single-cell RNA, and DNA-encoded libraries—into actionable drug discovery insights. His background bridges a PhD in Chemical and Biomolecular Engineering with hands-on open-source contributions to molecular simulation and MD analysis projects (notably parsers and trajectory tools in parmed and mdtraj), reflecting deep domain expertise in molecular data formats and parameterization. Previously he ran genomics engineering teams at Myriad/Counsyl, shipping clinical variant interpretation and patient-reporting pipelines at scale. Colleagues describe him as equally comfortable leading strategy and diving into backend code to solve tricky file-format and simulation edge cases.
12 years of coding experience
14 years of employment as a software developer
Abitur focus in Chemistry and Mathematics, Abitur focus in Chemistry and Mathematics at German International School Washington D.C.Ph.D. Chemical and Biomolecular Engineering, Ph.D. Chemical and Biomolecular Engineering at Vanderbilt UniversityB.S. Chemical Engineering, B.S. Chemical Engineering at University of Virginia
English, German, French
Github Skills (14)
unit-testing10
lammps10
parameterization10
molecular-dynamics-simulation10
mdt10
python10
file-parsing10
molecular-simulation10
mdm10
nonlinear-dynamics10
back-end-development10
grok10
numpy10
gr10
Programming languages (7)
Github contributions (5)
mdtraj/mdtraj
Oct 2014 - Feb 2022
An open library for the analysis of molecular dynamics trajectories
Role in this project:
Back-end Developer
Back-end DeveloperContributions:7 reviews, 86 commits, 30 PRs in 7 years 4 months
Contributions summary:Christoph primarily focused on developing the `lammpstrj` file format implementation within the `mdtraj` library. Their contributions involved creating the initial draft and subsequent updates, including preliminary support for triclinic box reading, writing functionalities, and accommodating custom column orders. Additionally, they addressed Python 2.6 compatibility issues related to formatted strings and fixed a bug in the xyz format. They also added the saver to Trajectory and unit tests for it.
pythonmdtrajmolecular-dynamicspdbpdb-files
ParmEd/ParmEd
Jan 2016 - Feb 2017
Parameter/topology editor and molecular simulator
Role in this project:Back-end Developer
Back-end DeveloperContributions:27 commits, 13 PRs, 54 comments in 1 year 1 month
Contributions summary:Christoph primarily contributed to the back-end logic of the `parmed/parmed` repository, focusing on the Gromacs topology file parser. They implemented features like respecting the `parametrize` flag during file reading and converting function names to snake case for code consistency. Furthermore, the user updated and refined the codebase by correcting RB torsion functionality, and handling character encoding in the `.top` file comments, demonstrating expertise in parameterization and file format manipulation within a molecular simulation context.
physicslammpssimulationmolecularparameter
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