BAPULM: Binding Affinity Prediction using Language Models. - Radheesh Sharma Meda; Amir Barati Farimani (CoRR, 2024)

MOFGPT: Generative Design of Metal-Organic Frameworks using Language Models. - Srivathsan Badrinarayanan; Rishikesh Magar; Akshay Antony; Radheesh Sharma Meda; Amir Barati Farimani (CoRR, 2025)

Large Language Model Agent for Modular Task Execution in Drug Discovery. - Janghoon Ock; Radheesh Sharma Meda; Srivathsan Badrinarayanan; Neha S. Aluru; Achuth Chandrasekhar; Amir Barati Farimani (CoRR, 2025)