PhD Student at University at Buffalo 🇺🇸| MSc Chemoinformatics 🇪🇺| DigiChem Erasmus+ 🇸🇮🇮🇹🇩🇪| Computer-aided Drug Design and Discovery | Computational Chemist | AI/ML in Drug Discovery | Data ...

This repository contains a comprehensive Jupyter notebook developed while following the RDKit tutorial series on the CodeToDiscovery YouTube channel. The tutorial is focused on leveraging RDKit—a ...

"[Auto3D](https://github.com/isayevlab/Auto3D_pkg) is a Python-based package for generating low-energy conformers from SMILES. It automatizes the stereoisomer ...

🔬 Bioinformatician| Researcher | 💻Multi-Omics| AWS Solutions (SaaS)| Pipeline Engineering & Analytics | AgenticAI |Molecular Docking & Dynamics | Big Data Analyst | 🤖 AI & ML | 🐍 Python and R ...