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Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
HTML
27
7
Browse 7z archives online in the web-browsers
JavaScript
15
Parse Corel Draw vector graphics from Python using libcdr
M4
12
3
This 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).
HTML
11
2
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
HTML
8
1
Web-viewer for materials science visualizations
TypeScript
7
4
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Showing 10 of 29 repositories
aiida-mpds-monitor
Public
Daemon to monitor AiiDA MPDS workflows and send webhooks on task start/finish.
mpds-io/aiida-mpds-monitor's past year of commit activity
Python
1
MIT
1
2
1
Updated Nov 11, 2026
ermac
Public
Ermac is a standalone MPDS platform GUI to be embedded in any website
mpds-io/ermac's past year of commit activity
JavaScript
3
MIT
6
4
2
Updated Nov 7, 2026
ab_initio_calculations
Public
High-throughput ab initio calculations using CRYSTAL and FLEUR based on the MPDS data
mpds-io/ab_initio_calculations's past year of commit activity
Python
1
MIT
3
0
3
Updated Nov 6, 2026
dft-organizer
Public
A simple organizer for scientific calculations
mpds-io/dft-organizer's past year of commit activity
Python
2
MIT
1
3
4
Updated Nov 5, 2026
aiida-reoptimize
Public
Calculators for external optimization of crystal structures.
mpds-io/aiida-reoptimize's past year of commit activity
mpds-aiida
Public
Automated computational workflows based on the MPDS data platform using the CRYSTAL and FLEUR first-principles engines
mpds-io/mpds-aiida's past year of commit activity
Python
3
MIT
4
0
5
Updated Oct 21, 2026
tutorial
Public
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
mpds-io/tutorial's past year of commit activity
HTML
8
1
0
0
Updated Oct 12, 2026
quantum_macaroni
Public
Calculation of Seebeck coefficient and electron conductivity
mpds-io/quantum_macaroni's past year of commit activity
Python
0
MIT
1
1
1
Updated Oct 4, 2026
mpds-io/mpds-ontology's past year of commit activity
0
0
0
0
Updated Sep 29, 2026
mpds-api
Public
Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
mpds-io/mpds-api's past year of commit activity
HTML
27
7
0
1
Updated Aug 23, 2026
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