LinkedIn https://www.linkedin.com/in/dharanibabu2025
Models @ HuggingFace https://huggingface.co/aifinitydigital
Sequence-only prediction of VHH nanobody epitopes and paratopes with frozen ESM2 Protein Language Model
https://www.biorxiv.org/content/10.64898/2026.10.15.759522v1
Computational Mathematics in AI for Drug Discovery
https://www.linkedin.com/pulse/two-proteins-one-conversation-how-numbers-predict-binding-babu-rss6c/
Cloud Contributions
https://medium.com/@dharanibabu_68045/a-free-video-conferencing-solution-on-amazon-cloud-b90f607326db
CERTIFICATIONS
- IBM Certified : Generative AI Engineering and Fine-Tuning Transformers 2025
- Machine Learning ( Stanford University ) 2020
- AWS Certified Solutions Architect ( Associate ) 2020
- AWS Fargate & ECS - Masterclass | Microservices, Docker, CFN ( Udemy) 2023
PROJECTS
EpiDock AI: An antibody - antigen Interaction & Structural Prediction Platform
- EpiDock AI is an enterprise-grade structural biology pipeline designed for a top-tier pharmaceutical client to accelerate the discovery of targeted bio-pharmaceuticals.
- Delivered an end-to-end structural biology pipeline , enabling a 40% reduction in early-stage hit-to-lead discovery time
- Hands-on developed a "cross attention model" using PyTorch with frozen ESM2's weights to map paratopes ( with CDR3 mask) and epitopes ( with antigen residue amino acids from SabDab ) , and derive binding probabilities
- Atomic-Level 3D Docking - Deployed optimized structural prediction models (AlphaFold/BindCraft/ OpenFold/Boltz-2) on AWS g5.xlarge GPU instances to predict high-resolution 3D structures of the Her2-VHH complexes.
- Directed an engineering team of 12+ AI engineers, ML Ops specialists, and software developers. Managed direct reports , owning hiring, performance reviews, and succession planning to build a culture of continuous learning.
- Established strict Responsible AI and security frameworks for enterprise generative AI adoption. Partnered with LLM Compliance team to design zero-egress LLM architectures, implementing rigorous access controls, human-in-the-loop safeguards
DocGen — AI-Assisted Document Generation for GxP Manufacturing ( for CRDMO - Sai Life Sciences)
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DocGen , developed for a leading CRDMO, is a GMP compliance initiative . It turns the slowest step in GxP operations — authoring and revising controlled documents — into an AI-assisted workflow with human QA approval at every release. It generates new SOPs and technical packages grounded in the site's own documents and the regulatory corpus (ICH Q7/Q9/Q10/Q12, FDA guidance, EU GMP, PIC/S), and executes controlled modifications to existing documents with full traceability.
- The Project ensures coverage of 21 CFR Part 11 use cases- immutable audit trails , electronic signatures , access and authrority controls and ALCOA data integrity.
- Hybrid retrieval knowledge base - bge-m3 dense + SPLADE sparse embeddings with QDrant vector store ( for GxP compliance). Claude Sonnet 4.5 / LLaMA 3.3 70B LLMs via AWS Bedrock
RetroSynthesis AI : Optimal synthesis Pathway Platforms for Pharma Molecules ( for CRDMO - Sai Life Sciences )
- Architected a full-stack AI-powered retrosynthesis platform, reducing synthesis route identification from weeks of manual analysis to under 10 minutes. Integrated AiZynthFinder MCTS (878,000 USPTO reactions), IBM RXN & Sigma Aldrich APIs with Claude Sonnet as LLM
GxP Doc Retrieval System : AI Powered Document Intelligence System ( for Takeda Pharmaceuticals )
- Architected an AI-powered Hybrid RAG platform for retrieval of SDLC documents from various sources like Veeva Vault , JIRA , Confluence and sharepoint
- Document retrieval agents were implemented with LangGraph Framework with deployments done with AWS Fargate instances