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.
What is the mooreneural/lacuna GitHub project? Description: "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.". Written in Python. Explain what it does, its main use cases, key features, and who would benefit from using it.
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