activity
20242026
most citedLarge Language Model Agent for Modular Task Execution in Drug Discovery

3 citations · 8 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mes-hall2026

Graph-Based Kirchhoff Modeling of Non-Ohmic Electron Transport in Self-Assembled Nanonecklace Networks

Obed Issakah, Srivathsan Badrinarayanan, Ravi F. Saraf +1

Gold nanonecklace networks exhibit non-Ohmic current--voltage I-V characteristics with a sharp conduction threshold, making them promising for sensing and transistor-like devices.…

cs.LG2025

Meta-Learning for Cross-Task Generalization in Protein Mutation Property Prediction

Srivathsan Badrinarayanan, Yue Su, Janghoon Ock +3

Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision m…

cs.LG2025★ 3 cited

Large Language Model Agent for Modular Task Execution in Drug Discovery

Janghoon Ock, Radheesh Sharma Meda, Srivathsan Badrinarayanan +3

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By com…

cs.LG2025★ 3 cited

LLM-guided Chemical Process Optimization with a Multi-Agent Approach

Tong Zeng, Srivathsan Badrinarayanan, Janghoon Ock +2

Chemical process optimization maximizes production efficiency and economic performance, but optimization algorithms, including gradient-based solvers, numerical methods, and parame…

cs.LG2025★ 2 cited

MOFGPT: Generative Design of Metal-Organic Frameworks using Language Models

Srivathsan Badrinarayanan, Rishikesh Magar, Akshay Antony +2

The discovery of Metal-Organic Frameworks (MOFs) with application-specific properties remains a central challenge in materials chemistry, owing to the immense size and complexity o…

q-bio.QM2024

Multi-Peptide: Multimodality Leveraged Language-Graph Learning of Peptide Properties

Srivathsan Badrinarayanan, Chakradhar Guntuboina, Parisa Mollaei +1

Peptides are essential in biological processes and therapeutics. In this study, we introduce Multi-Peptide, an innovative approach that combines transformer-based language models w…