MPDS
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- The Internet
- https://mpds.io
- company/mpds-io
- support@mpds.io
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mpds-ml-labs
mpds-ml-labs Public archiveThis is the proof of concept, how a relatively unsophisticated statistical model trained on the large MPDS dataset predicts physical properties from the only crystalline structure (POSCAR or CIF).
Repositories
- tutorial Public
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
- ab_initio_calculations Public
High-throughput ab initio calculations using CRYSTAL and FLEUR based on the MPDS data
- mpds-api Public
Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
- aiida-mpds-monitor Public
Daemon to monitor AiiDA MPDS workflows and send webhooks on task start/finish.
- mpds-aiida Public
Automated computational workflows based on the MPDS data platform using the CRYSTAL and FLEUR first-principles engines
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