Thomas Löhr
Head Of Compute at Bind Research
London, England, United Kingdom
Summary
👤
Senior🎓
Top SchoolThomas Löhr is Head of Compute and a computational biophysicist with 11 years of experience applying molecular simulations and machine learning to understand disordered proteins and inform drug design. He blends method development and application, having combined molecular dynamics with novel neural-network approaches to elucidate protein kinetics and publish and present findings internationally. A hands-on leader, he has secured competitive supercomputing grants, mentored researchers, and transitioned between academia and industry roles at Cambridge and AstraZeneca before co-founding Bind Research. Thomas is an active open-source contributor with backend contributions to the widely used PLUMED project, implementing re-weighting features to improve ensemble averaging. Based in London, he brings deep technical fluency in C++ and Python, a track record of cross-disciplinary collaboration with experimentalists, and a pragmatic focus on translating computational advances into real-world impact.
11 years of coding experience
3 years of employment as a software developer
Doctor of Philosophy - PhD, Computational Biophysics, Doctor of Philosophy - PhD, Computational Biophysics at University of CambridgeMaster of Science - MS, Chemistry, Master of Science - MS, Chemistry at Technical University of Munich
English, German
Github Skills (10)
energy10
resample10
subsampling10
sampling10
cpp10
cplus10
resampling10
dynamics9
molecular-dynamics-simulation9
molecular-simulation9
Programming languages (7)
Github contributions (5)
plumed/plumed2
Jun 2020 - Apr 2021
Development version of plumed 2
Role in this project:
Back-end Developer
Back-end DeveloperContributions:37 commits, 2 PRs, 5 comments in 10 months
Contributions summary:Thomas's commits primarily focused on enhancing the EMMI (Enhanced Model with Mutual Information) class within the plumed2 repository. These changes involved restructuring the class to facilitate bias re-weighting, including the addition of a REWEIGHT keyword and related code for re-weighting calculations. Furthermore, the user implemented re-weighting functionality and made several adjustments, likely to support improved ensemble averaging and integration with the existing codebase.
minecraftmolecular-dynamicsc-plus-plusfree-energyplugin
tlhr/plumology
Sep 2016 - Mar 2018
Contributions:5 commits, 37 pushes, 1 branch in 1 year 6 months
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