Computational Research Scientist at DoD BHSAI

Souvik is a Research Scientist at the U.S. Department of Defense Biotechnology HPC Software Applications Institute in Frederick, MD. He works on building computational models to predict protein-small molecule interactions and small molecule toxicity predictions. He also spends a lot of his time in cleaning/processing public datasets! He received his Ph.D. in Chemistry from University of Illinois Chicago in 2023 where he studied the sequence-dynamics-function paradigm of intrinsically disordered proteins using molecular dynamics simulations and machine learning. Prior to that, he received his B.S. + M.S. in Chemistry from Visva Bharati University, India and worked at several research institutions.

When Souvik is not benchmarking generative AI models for toxicity predictions, he is busy in exploring the national parks!

Highlighted Research

Dey, S., Wallqvist, A. & AbdulHameed, M.D.M. Developing muscarinic receptor M1 classification models utilizing transfer learning and generative AI techniques. Sci Rep 15, 16486 (2025). [Link]