Yash Chainani
ML x Chemistry x Biology research | Enthusiastic about synthesis-planning, cheminformatics, RDKit, and machine learning | PhD candidate @ Northwestern University | UC Berkeley ChemE ’21
- Role
- Computational Biology Researcher at Joint Bioenergy Institute
- Location
- San Diego, CA, US
- LinkedIn followers
- 500 followers
About Yash Chainani
PhD candidate studying computational biology & cheminformatics at the department of…
Experience
Computational Biology Researcher
Jan 2023 — Present · Emeryville, CA, US
Developed one of the first fully integrated retrobiosynthesis software tools to autonomously suggest the biosynthesis and semi-synthesis of small-molecules using both multifunctional and monofunctional enzymes as well as synthetic chemistry.• Deployed previously trained XGBoost and message-passing GNN models to accelerate the design of feasible biosynthetic pathways.• Built and used a molecular docking pipeline with tools, such as DiffDock, GNINA, SMINA, posebusters, and py3Dmol to aid synthetic biologists in the computational protein design of potentially promiscuous enzymes.• Designed a microservice architecture to deploy all resulting software on the web for easy use by synthetic biologists. Docker was used to containerize a frontend GUI (streamlit), a backend (Django + retrobiosynthesis software), and a postgreSQL database. Orchestration of all containers was achieved using docker swarm and load balancing was achieved with Celery and Redis.
Education
Northwestern University
Doctor of Philosophy - PhD, Chemical and Biomolecular Engineering
University of California, Berkeley
Bachelor of Science - BS, Chemical and Biomolecular Engineering
2017 — 2021
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