Software
Open-source work in LLMs, agentic AI, and computational chemistry.
★ Featured
ChatDFT Featured
An LLM-powered agentic platform that fully automates quantum chemistry workflows — from natural-language task input to DFT job submission, monitoring, and result analysis on HPC clusters.
Python LLM RAG Fine-tuning Agentic AI HPC
- Reduced quantum chemistry setup-to-results time by 70%
- Integrated RAG retrieval + SFT/RLHF fine-tuning pipeline
- Automated HPC job scheduling, monitoring, and error recovery
ChemVisionAgent Featured
A multimodal AI agent that extracts structured data from chemistry literature — parsing figures, tables, and reaction schemes using vision-language models to accelerate materials discovery.
Python Multimodal LLM Vision Agentic AI NLP
- Automated figure & table parsing from scientific PDFs
- Structured JSON output for downstream ML pipelines
- Supports multi-step reasoning across multimodal inputs
Other Projects
hpc_monitor
Real-time monitoring dashboard for HPC job queues and resource utilization.
Python HPC Slurm