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RosettaCommons
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feat: add support for LMDB molecular/materials science datasets from FAIR Chemistry
- #83
#83
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amorehead
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RosettaCommons:production
RosettaCommons/atomworks:production
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amorehead:feat/add-lmdb-support
amorehead/atomworks:feat/add-lmdb-support
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feat: add support for LMDB molecular/materials science datasets from FAIR Chemistry
#83
amorehead
wants to merge 11 commits into
RosettaCommons:production
RosettaCommons/atomworks:production
from
amorehead:feat/add-lmdb-support
amorehead/atomworks:feat/add-lmdb-support
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Commits on May 5, 2026
feat: Add ASE LMDB dataset support with loader utilities and tests
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feat: Add test for ASELMDBDataset to read real OMol25 test partition and validate metadata
amorehead
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feat: Enhance ASE LMDB support with materials science data loader and update documentation
amorehead
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refactor: Remove redundant main block from test for ASE materials loader
amorehead
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style: Update formatting for HTML JS files in Sphinx configuration
amorehead
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Commits on May 11, 2026
feat: Add additional annotations for atom arrays in ase_atoms_to_atom_array function to support foundry training
amorehead
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Commits on May 12, 2026
docs(lmdb): clarify ASE atom array loading
Alex Abrudan
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Merge pull request #1 from amorehead/amorehead-lmdb-touchup
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Commits on May 22, 2026
fix: enhance get_row_and_index_by_example_id to handle datasets without 'data' attribute, such as the ASELMDBDataset
amorehead
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refactor: run linting
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Commits on Jun 19, 2026
Merge branch 'production' into feat/add-lmdb-support
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Alex Abrudan