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feat(space): surface-aware sampling region (per-ligand auto-sizing + SAS) #12

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Run time

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Job	Run time
Test Python 3.10	2m 48s
Test Python 3.13	2m 31s
Lint	8s
Test Python 3.12	2m 6s
Unit Tests Python 3.12	25s
Test Python 3.11	2m 16s
Unit Tests Python 3.10	23s
Unit Tests Python 3.13	20s
Unit Tests Python 3.11	20s
GPU Test	-1s
	11m 16s