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 vector database with 5B+ isometric embeddings of molecules trained using novel AI approach CHEESE Docs
- 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
- Issue Duration Labeller – Github Marketplace – Github Action for automatic labelling of issues based on time taken
- 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
