My name is Valerij and I am a pharmacist, who during his PhD at the Wolber Lab, FU Berlin started getting more involved with coding and ended up becoming an software developer at Datagrok with me previously having worked at AI|ffinity, who still tries to hone the software development skills. While I started my journey into coding on my own and was learning by myself during my first coding projects, a lot of knowledge was gained through open-source projects and interacting with different software developers from the computational chemistry open-source community, which started with me participating in the Google Summer of Code. There I was selected to be a contributor for MDAnalysis Google Summer of Code 2024. Through this I was able to learn from more experienced software developers and from that moment I try to continue contributing to various open-source projects.
Here is the list of some open-source projects I am involved with and a couple of my projects:
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OpenMMDL - Interface to OpenMM for setup of molecular dynamic simulations of protein-ligand complexes. ➝ Main developer
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MDAnalysis - MDAnalysis is a library to analyze molecular dynamics simulations. ➝ Contributor & Google Summer of Code Mentor
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ProLIF - Protein-ligand complexes interaction fingerprints. ➝ Contributor & Collaborator: water-bridge interaction implementation
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OpenFE - The Open Free Energy toolkit. ➝ Collaborator: Implementation of analysis features
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MDonatello - 2D small molecule visualization for MDAnalysis. ➝ Developer & Maintainer