Multimodal language and graph learning of adsorption configuration in catalysis. - Janghoon Ock; Srivathsan Badrinarayanan; Rishikesh Magar; Akshay Antony; Amir Barati Farimani (Nat. Mac. Intell., 2024)

Multi-Peptide: Multimodality Leveraged Language-Graph Learning of Peptide Properties. - Srivathsan Badrinarayanan; Chakradhar Guntuboina; Parisa Mollaei; Amir Barati Farimani (J. Chem. Inf. Model., 2025)

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

LLM-guided Chemical Process Optimization with a Multi-Agent Approach. - Tong Zeng; Srivathsan Badrinarayanan; Janghoon Ock; Cheng-Kai Lai; 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)