Computational Chemist and Scientific Software Developer — Olomouc, Czech Republic.
I develop computational methods and reproducible workflows for molecular dynamics, de novo molecular design, QSAR modeling, with a focus on practical drug-discovery applications.
I am the lead developer of StreaMD, an open-source toolkit for automated molecular dynamics workflows at scale, and of CReM-opt and CReM-agent (not open-source yet), docking-guided frameworks for de novo molecular design and optimization. I also contributed to EasyDock, a scalable molecular docking platform.
Open to research, postdoctoral, pharmaceutical or biotechnology industry, and scientific-software roles in computational chemistry and drug discovery.