cv

Basics

Name Shreyas Vinaya Sathyanarayana
Label AI Research Scientist
Email shreyas.college@gmail.com
Url https://shreyasvinaya.github.io/folio/
Summary AI Research Scientist specializing in AI for Chemistry, Drug Discovery, and Molecular Machine Learning. Led the development of DeepRetro, achieving state-of-the-art results in retrosynthesis.

Work

  • 2025.08 - Present
    AI Research Scientist
    MStack AI
    Designing novel Chemistry-first AI models to tackle Molecule Synthesis and Chemical supply chains. Led the design and development of chemical foundational models for chemical reaction understanding.
    • Chemical Foundation Models
    • Molecule Synthesis
  • 2024.06 - Present
    Visiting Researcher Intern
    Yale University
    Conducting research on molecule generation models using geometric deep learning with Prof. Smita Krishnaswamy.
    • Geometric Deep Learning
    • Molecular Design
  • 2023.12 - 2025.03
    Research Intern
    Harvard Medical School
    Investigating the neural mechanisms of language processing using AI models under Prof Gabriel Kreiman.
    • Neural Language Processing
    • Machine Learning for Neuroscience
  • 2023.06 - 2025.08
    Research Fellow (DeepRetro Lead)
    Deep Forest Sciences
    Led the design and development of DeepRetro: a Chemist's AI Co-Pilot for Collaborative Retrosynthesis.
    • Achieved 96.3% success rate on USPTO-190 benchmark
    • Winner of $100,000 Standard Industries Chemical Innovation Challenge
    • Migrated DeepChem models from TensorFlow to PyTorch, increasing user base by 92%

Volunteer

  • 2024.05 - Present
    Mentor
    DeepChem - Google Summer of Code
    Mentored contributors on polymer generative pipelines and model migration from TensorFlow to PyTorch.
    • Mentored Debasish Mohanty on polymer generative pipelines
    • Mentored Bibhusundar Mohapatra on Chemception model migration
  • 2022.08 - 2023.05
    ML Lead
    Google Developer Student Clubs, BITS Goa
    Guided 25+ ML enthusiasts, conducted weekly training sessions, organized hackathons.
    • Led weekly ML training sessions
    • Organized hackathons and mentored in ML model building

Education

  • 2020.08 - 2025.05

    Goa, India
    MSc
    Birla Institute of Technology and Science, Pilani - Goa Campus
    Chemistry
  • 2020.08 - 2025.05

    Goa, India
    BE
    Birla Institute of Technology and Science, Pilani - Goa Campus
    Computer Science

Awards

Publications

Skills

Machine Learning
Deep Learning
Graph Neural Networks
Large Language Models
Generative AI
Drug Discovery
Retrosynthesis
Molecular Generation
Property Prediction
Computational Chemistry
Tools & Languages
Python
PyTorch
TensorFlow
Git
AWS
Azure

Languages

English
Fluent

Interests

AI for Science
Drug Discovery
Materials Science
Computational Biology
Open Source
DeepChem
Scientific Computing

Projects

  • 2023.06 - 2025.08
    DeepRetro
    AI Co-Pilot for Collaborative Retrosynthesis using iterative LLM reasoning. Achieved state-of-the-art 96.3% success rate.
    • Nature Scientific Reports Publication
    • $100,000 Challenge Winner
  • 2023.01 - Present
    DeepChem
    Core contributor to the open-source drug discovery toolkit. Migrated models from TensorFlow to PyTorch.
    • 92% increase in user base
    • GSoC Mentor 2024-2025