I'm passionate about applying Deep Learning & Artificial Intelligence to scientific domains, with a focus on Cheminformatics and Bioinformatics. Now I am a CTO, Co-Founder @ Deep MedChem and exploring innovative AI applications in drug discovery and medical chemistry.
- Chemical Embeddings Search Engine – Custom implemented disk-based vector database with 40B+ isometric embeddings of molecules trained using novel AI approach. The UI is written in React/Typescript, Vite, Express and Tailwind CSS. Read paper preprint
- Conformer Visualiser – An app for comparison of alignment of conformers
- DOI Reference Extractor @ references.mireklzicar.com – Enter a DOI to extract and download all references in your preferred citation format
- DNGPU Torch – Torch implementation of Neural GPU with Diagonal Recurrent Cells (ported from antique version of tensorflow)
- Neural Chomsky – Torch implementation of Neural Networks and the Chomsky Hierarchy (ported from Jax)
- Ketcher Docker @ ketcher.mireklzicar.com – A production-ready Vite-based application that embeds the Ketcher chemical structure editor with full iframe communication support.
- Issue Duration Labeller – Github Marketplace – Github Action for automatic labelling of issues based on time taken
- LineIndex – LineIndex provides lightning-fast random access to lines in large text files through efficient indexing. It's a pip package designed to handle very large files where you need to frequently access specific lines without reading the entire file.
- ESP and RESP partial charges – Streamlit app of computation of near DFT-quality ESP and RESP partial charges
- Modeller – Streamlit app allowing users to train custom AI models for ADMET property prediction and run inference at scale unmatched by competitors
- Spanning Trees Search – Python project leveraging matrix methods in graph theory to efficiently enumerate spanning trees.
- Particle Swarm Optimization – C# project for visualisation of particle swarm optimization.
- Time Resolved X-ray Diffraction Crystallography – Work for ELI Beamlines under research group TREX at Department of Structural Dynamics
- mireklzicar.com – A personal blog written in Astro with plenty of cool features. Initial fork from Astro Sphere
