MPDS

MPDS stands for Materials Platform for Data Science. MPDS provides curated high-quality materials data, manually extracted from ~0.5M scientific publications.

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Overview
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mpds-api mpds-api Public

Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science

HTML 27 7
archivarius archivarius Public

Browse 7z archives online in the web-browsers

JavaScript 15
mpds-ml-labs mpds-ml-labs Public archive

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
pylibcdr pylibcdr Public

Parse Corel Draw vector graphics from Python using libcdr

M4 11 3
tutorial tutorial Public

Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)

HTML 8 1
visavis visavis Public

Web-viewer for materials science visualizations

TypeScript 7 4

Repositories

Type Language Sort

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 0 2 0 Updated Aug 27, 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 Aug 24, 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 4 4 2 Updated Aug 24, 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 2 Updated Aug 24, 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
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 1 Updated Aug 20, 2026
dft_organizer Public
A simple organizer for scientific calculations

mpds-io/dft_organizer's past year of commit activity

Python 2 MIT 1 2 2 Updated Aug 5, 2026
archivarius Public
Browse 7z archives online in the web-browsers

mpds-io/archivarius's past year of commit activity

JavaScript 15 MIT 0 5 (1 issue needs help) 0 Updated Jul 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 0 Updated Jul 5, 2026
aiida-reoptimize Public
Calculators for external optimization of crystal structures.

mpds-io/aiida-reoptimize's past year of commit activity

Python 4 MIT 1 2 (2 issues need help) 0 Updated May 19, 2026