About the role
We're Virovance, a preclinical biotech startup focused on oncology We're seeking an experienced AI/ML developer with cheminformatics and molecular modeling expertise to build an MVP of a fully automated drug discovery platform.
The platform will screen publicly available small molecules, predict activity against CDKs, assess toxicity and PK, perform docking, and flag IP risks — all via a simple Streamlit dashboard deployed on Azure.
Scope of Work
Backend Functionality
Pull molecules from ChEMBL or ZINC database
Predict:
Activity against CDK9 (primary) and optionally CDK2, CDK4/6, CDK7
Toxicity, ADMET, and PK
Run AutoDock Vina docking across multiple CDKs
Conduct patent/IP checks via PubChem similarity search and public patent APIs
Rank molecules based on:
Binding score (multi-target or selective)
ADMET profile
IP risk
Preclinical readiness
Frontend (Streamlit)
"Run Discovery" button
Results table with:
Molecule ID / SMILES
CDK docking scores
Activity prediction
Tox & PK flags
Patent/IP flags
Export results to CSV or Excel
(Optional) visualizer for chemical structures
Deployment
Deploy the app using Azure App Services + Storage
Set up CI/CD via GitHub
Provide full documentation and a simple walkthrough
