












You will work in the Computational Chemistry group, led by Dr. Mehdi D. Davari, an interdisciplinary team focused on accelerating chemical and biological discovery using computational tools. Our research combines computational chemistry, cheminformatics, bioinformatic and AI to design new molecules and enzymes for unprecedented catalytic functions. In this project, you will: * Develop innovative machine learning architectures for the mining, prediction, and design of enzymes. * Combine state-of-the-art ML (e.g., deep learning, generative models) with computational biochemistry tools. * Collaborate closely with an experimental enzymology PhD student to validate your models in the lab. This is an excellent opportunity to contribute to the future of enzyme engineering, bioinformatics, and molecular ML in an exciting, interdisciplinary environment.For more information about our group and research topics, visit: IPB Halle Department of Bioorganic Chemistry (NWC)