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p2rank/misc/test-scripts
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rdk 550ab9e1a0 testsets.sh: add opt-in pocket_grid_long sweep 
Runs the full per-pocket + per-grid-point descriptor menu with
visualizations on the 4 main datasets. Kept out of all() — opt-in.
2026-05-20 11:35:58 +02:00
..
benchmark.sh
update test scripts
2020-10-30 02:46:00 +01:00
kdtree-benchmark.sh
Add comparative benchmark test for v1 vs v2 KdTree
2026-03-02 20:52:05 +01:00
pocket_grid_dataset_bench.sh
Add pocket-grid + descriptors export with PyMOL / ChimeraX viz
2026-05-19 03:03:33 +02:00
standard-benchmarks.sh
use faster-molecular-surface library to calculate SAS points
2024-08-03 13:55:25 +02:00
testsets.sh
testsets.sh: add opt-in pocket_grid_long sweep
2026-05-20 11:35:58 +02:00