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Pull requests: theochem/AtomDB

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Pull requests list

Feat/orca dataset
#167 opened Apr 29, 2026 by emerbitz Loading…
8
Refactor database
#166 opened Apr 15, 2026 by msricher Collaborator Loading…
11
Doc: Added Documentation for how to add datasets
#165 opened Mar 19, 2026 by satkarjuneja Loading…
1
6
Hdf5 versions support and refactoring promolecule
#161 opened Aug 22, 2025 by enjyashraf18 Collaborator Loading…
1
Convert Existing Databases to HDF5 Files
#160 opened Aug 21, 2025 by enjyashraf18 Collaborator Loading…
3
Refactor Species Class
#159 opened Jul 23, 2025 by enjyashraf18 Collaborator Loading…
16
Manuscript examples
#96 opened May 14, 2024 by marco-2023 Collaborator • Draft
2
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