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Cloud-Native Multimodal AI Platform for Drug Candidate Prioritization
February 2026 – April 2026
End-to-end pipeline for drug candidate scoring, combining molecular structure features with multimodal learning. Built a FastAPI backend serving the trained model with containerized deployment via Docker, enabling scalable inference for chemistry and biotech workflows.
- Python
- RDKit
- PyTorch
- scikit-learn
- MLflow
- FastAPI
- Docker Compose
- GitHub Actions
- Prometheus
- pytest
Highlights
- YAML-driven training workflows with structured evaluation across classical, tree-based fusion, and GCN-style graph–tabular fusion models.
- Deterministic ranking with descriptor penalties, confidence, tie-breaks, and reason codes for explainable decision support.
- Containerized FastAPI service (predict / rank / batch-rank), Docker Compose packaging, automated tests, and metrics-ready instrumentation.




