feat: Add atom-wise RASA conditioning for ligand orientation design#35

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daylight-00 wants to merge 3 commits intoRosettaCommons:mainfrom

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Commits on Oct 29, 2025

fix: improve boundary handling in one_hot_buckets function
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feat: add metadata support for atom-wise feature computation
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Commits on Oct 30, 2025

feat: implement atom-wise RASA specification for ligands
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