Work

Publications, experience, and applied projects in AI4Science.

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Publications

Also on Google Scholar.

Multi-Peptide model
ACS JCIM · 2024

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

S. Badrinarayanan, C. Guntuboina, P. Mollaei, A.B. Farimani

Multimodal peptide-property predictor combining sequence transformers and AlphaFold-generated structures.

MOFGPT generative MOF design
ACS JCIM · 2025

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

S. Badrinarayanan, R. Magar, A. Antony, R.S. Meda, A.B. Farimani

PPO-driven generative transformers for de novo MOF sequence design and property-aware synthesis.

LLM-guided chemical process optimization
ML: Science & Technology · 2025

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

T. Zeng, S. Badrinarayanan, J. Ock, C.K. Lai, A.B. Farimani

Multi-agent LLM framework for modular chemical process optimization tasks.

LLM agent for drug discovery
ACS JCIM · 2026

Large Language Model Agent for Modular Task Execution in Drug Discovery

J. Ock, R.S. Meda, S. Badrinarayanan, N.S. Aluru, A. Chandrasekhar, A.B. Farimani

Agentic pipeline integrating LLMs, RAG, and property-prediction models for autonomous drug discovery.

Preprints

Meta-learning for protein mutation prediction
arXiv · 2025

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

S. Badrinarayanan, Y. Su, J. Ock, A. Pham, S. Ahuja, A.B. Farimani

Meta-learning framework enabling few-shot generalization across protein mutation prediction tasks.

Graph-based Kirchhoff modeling of nanonecklace networks
arXiv · 2026

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

O. Issakah, S. Badrinarayanan, R.F. Saraf, J. Ock

Graph-based modeling of electron transport in self-assembled nanonecklace networks.

Work history

Nov 2025 to Jun 2026

Founding Engineer

Stealth Startup · AI for Fintech · San Francisco Bay Area
  • End-to-end ownership of ML, systems, and deployment for an AI-for-fintech product.
  • Shipped through multiple 0→1 pivots across engineering, product, and go-to-market.
Jun to Aug 2025

Machine Learning Engineer

Aikium Inc. · Protein Discovery · Berkeley, CA
  • Multi-agent protein engineering pipelines integrating ESM, ProteinMPNN, AlphaFold, and RFdiffusion.
  • Built a modular model zoo and LangChain interface connecting generative and predictive workflows for wet-lab scientists.
May to August 2022

MITACS Globalink Research Intern

University of Alberta · Advisor: Dr. Zukui Li
  • LSTM and Neural CDE surrogates for hydro-processing flow-rate optimization on real-time refinery data.
  • Presented results at the Three-Minute Thesis symposium to 50+ faculty. Watch talk
Jun 2021 to May 2022

Research Fellow

IIT Madras · Young Research Fellowship · Advisor: Dr. Himanshu Goyal
  • ML surrogates for stiff chemical kinetics, reducing CFD simulation time by 90% for reactor design.
Jun to Jul 2021

Machine Learning Intern

Tirios AI · Chennai, India
  • Deployed image recognition on AWS SageMaker for automated appliance diagnostics from user photos.

Beyond the papers

Science communication, education tools, and applied research projects.

DreamPods science communication podcast

DreamPods

Founded an 11-person CMU team building LLM+TTS pipelines that turn scientific material into accessible audio.

GenAI education platform

GenAI Education Platform

PDF to lecture video pipeline using multimodal LLMs for automated STEM content creation.

MITACS refinery process optimization talk

Refinery Process Optimization

MITACS @ UAlberta. LSTM/Neural CDE surrogates with 97% accuracy on real-time plant data.

Awards & service

Service

ACS JCIM Peer Reviewer

Reviewing manuscripts on AI-driven molecular modeling and chemical informatics.

Oct 2025 to present
Scholarship

MITACS Globalink Scholar

International merit-based research scholarship at the University of Alberta.

2022
Fellowship

Young Research Fellowship

Selected among top undergraduates at IIT Madras for early research.

Jul 2021
Award

Best Poster Award

Character-Consistent Diffusion, CMU Generative AI course.

Nov 2024