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feat(space): surface-aware sampling region (per-ligand auto-sizing + SAS) #13

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Run time

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Job	Run time
Unit Tests Python 3.10	24s
Test Python 3.12	2m 22s
Unit Tests Python 3.12	23s
Test Python 3.10	3m 3s
Lint	11s
Unit Tests Python 3.11	18s
Unit Tests Python 3.13	22s
Test Python 3.13	2m 29s
Test Python 3.11	2m 13s
GPU Test	0s
	11m 45s