Comp. Biology · ML · 2025
DockLens
Molecular docking with machine-learning affinity estimation
- Role
- Computational Biology & ML
- Discipline
- Comp. Biology · ML
- Year
- 2025
Overview
DockLens connects molecular docking with machine-learning-based affinity estimation.
The challenge
Bring computational biology workflows and model-based affinity estimation into an accessible application.
Approach
The project combines molecular docking, machine learning, and an interactive Streamlit application.
Outcome
A live computational-biology application and public repository are available.
Highlights
- Molecular docking
- Machine-learning affinity estimation
- Live Streamlit application