Guard get_delta_sasa against empty atom selections - #254

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fnachon wants to merge 9 commits into

HannesStark:mainfrom

fnachon:fix/sasa-empty-selection-crash

Commits on Jan 10, 2026

Minor adaptations for Mac GPU MPS compatibility
fnachon
committed
3173659
Merge branch 'HannesStark:main' into main
fnachon
authored
f84684f

Commits on Mar 31, 2026

Merge remote-tracking branch 'upstream/main'
fnachon
committed
61a248d
Fix MPS compatibility for new upstream code

fnachon
and
claude
committed
0327685
Fix KeyError 'name' by reloading molecules fresh from moldir in workers

fnachon
and
claude
committed
4bf9161
Fix MPS pin_memory warning and persistent_workers hint in all DataLoaders

fnachon
and
claude
committed
aeba138
Update README.md
fnachon
committed
698d095

Commits on Jun 30, 2026

Merge remote-tracking branch 'upstream/main'
fnachon
committed
592317f

Commits on Jul 10, 2026

Guard get_delta_sasa against empty atom selections

fnachon
and
claude
committed
2c5ab17