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theochem / AtomDB Public

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Convert Existing Databases to HDF5 Files#160

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enjyashraf18 wants to merge 4 commits intotheochem:dev-gsoctheochem/AtomDB:dev-gsocfrom

enjyashraf18:data-conversionenjyashraf18/AtomDB:data-conversionCopy head branch name to clipboard

Conversation Commits4 (4)Checks Files changed

Open

Convert Existing Databases to HDF5 Files#160
enjyashraf18 wants to merge 4 commits intotheochem:dev-gsocfrom
enjyashraf18:data-conversion

Commits

Commits on Aug 21, 2025

Convert numeric dataset files from msgpack to HDF5
enjyashraf18
committed
Convert nist dataset files from msgpack to HDF5
enjyashraf18
committed
Convert gaussian dataset files from msgpack to HDF5
enjyashraf18
committed
refactor uhf_augccpvdz dataset / add migration script
enjyashraf18
committed

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