aiida-core
https://github.com/aiidateam/aiida-core
Python
The official repository for the AiiDA code
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- Issues
- `ReadModel` on sub-entities
- Relax type for structurelist argument to TrajectoryData
- ♻️ v3: vendor node-graph, pythonjob and workgraph into core
- if get_detailed_job_info is not implemented key should not exist in calcjob
- Optional deduplication of identical files in dumped trees
- v3: feature: verdi collab
- v3: Storage backend abstraction possibly not in the best place
- v3: Implementation layer is not really the implementation layer
- v3: Storage architecture redesign
- AEP v3: data-node mutability / non-mutability debate once for all, finalize aiida-atomistic work
- Docs
- Python not yet supported