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MuPT-hub / mupt Public

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Add role-aware RDKit molecule export#59

Open

joelaforet wants to merge 6 commits into

issue-51/shared-saamr-topology-indexMuPT-hub/mupt:issue-51/shared-saamr-topology-indexfrom

issue-51/rdkit-role-aware-exportMuPT-hub/mupt:issue-51/rdkit-role-aware-exportCopy head branch name to clipboard

Conversation Commits6 (6)Checks Files changed

Open

Add role-aware RDKit molecule export#59
joelaforet wants to merge 6 commits into
issue-51/shared-saamr-topology-indexfrom
issue-51/rdkit-role-aware-export

Commits

Commits on May 5, 2026

feat(rdkit): add role-aware mol export
joelaforet
committed
test(rdkit): cover heterocyclic aromatic export
joelaforet
committed
Merge branch 'issue-51/shared-saamr-topology-index' into issue-51/rdkit-role-aware-export
joelaforet
committed
refactor(rdkit): use shared SAAMR residue traversal
joelaforet
committed
docs(rdkit): flag legacy exporter for review
joelaforet
committed

Commits on May 8, 2026

docs(test_exporters): Add link to Issue #31 in the test docstring
joelaforet
authored

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