rdk 7f4d37b5c4 Add comparative benchmark test for v1 vs v2 KdTree ...

Parametrized test generates random points, builds both trees, verifies
identical results for all query types, and measures relative performance.
Skipped during normal test runs; invoked via kdtree-benchmark.sh script.

2026-03-02 20:52:05 +01:00

..

calculations/score/zscore

zScoreTP

2017-12-27 15:58:22 +01:00

dev-scripts

chmod dev scripts

2024-11-04 06:57:17 +01:00

img

update chimerax visualisation image

2024-11-08 17:19:37 +01:00

table-data

cleanup

2021-12-15 02:26:16 +01:00

test-scripts

Add comparative benchmark test for v1 vs v2 KdTree

2026-03-02 20:52:05 +01:00

visualization

add ChimeraX visualization

2024-11-02 16:46:50 +01:00

citations.md

update publications

2025-06-09 10:08:12 +02:00

development-notes.md

move tutorials to documentation/, update rescoring tutorial and README

2026-02-11 10:52:20 +01:00

extracted_schema_pockets.json

add pocketeer output examples and schema

2026-02-11 08:38:02 +01:00

local-env.sh

add UseCompactObjectHeaders note to local-env.sh template

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