mooreneural/lacuna

Finds cryptic binding pockets in proteins and nucleic acids 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.

1 best points · 0 comments · 1 Hacker News post · 112 GitHub stars · View on GitHub

Hacker News discussions

• Lacuna, cryptic protein pocket discovery that runs on a laptop CPU (1 points, 0 comments, by ramen0w0, 2026-09-02)