cryptic-pockets

Here is 1 public repository matching this topic...

mooreneural / lacuna

Finds cryptic binding pockets that are invisible in a single static structure. Generates a conformational ensemble, detects pockets in every conformer, clusters them into transient sites, and ranks them. Seconds on a CPU, no GPU required. Emits docking-ready Boltz constraints and AutoDock Vina boxes.

bioinformatics drug-discovery chemoinformatics cryptic-pockets conformational-ensemble

Updated Sep 17, 2026
Python

Add this topic to your repo

To associate your repository with the cryptic-pockets topic, visit your repo's landing page and select "manage topics."

Learn more