All

29 repositories

pylibcdr
Public
Parse Corel Draw vector graphics from Python using libcdr
vector-graphics coreldraw openoffice
vector-graphics coreldraw openoffice open-office cdr openoffice-extension libcdr
CMake
•3•11•2•0•Updated Apr 23, 2026Apr 23, 2026
quantum_macaroni
Public
Calculation of Seebeck coefficient and electron conductivity
Python
•
MIT License
•0•0•2•1•Updated Apr 23, 2026Apr 23, 2026
aiida-reoptimize
Public
Calculators for external optimization of crystal structures.
Python
•
MIT License
•1•4•1•0•Updated Apr 21, 2026Apr 21, 2026
ermac
Public
Ermac is a standalone MPDS platform GUI to be embedded in any website
materials-science materials-informatics materials-platform
materials-science materials-informatics materials-platform materials-design mpds-api materials-genome mpds-platform
JavaScript
•
MIT License
•4•3•4•2•Updated Apr 19, 2026Apr 19, 2026
mpds-aiida
Public
Automated computational workflows based on the MPDS data platform using the CRYSTAL first-principles engine
materials-science ab-initio materials-informatics
materials-science ab-initio materials-informatics mpds-platform
Python
•
MIT License
•4•3•0•1•Updated Apr 16, 2026Apr 16, 2026
dft_organizer
Public
The simplest organizer for scientific calculations
Python
•
MIT License
•1•2•0•0•Updated Apr 8, 2026Apr 8, 2026
aiida-mpds-monitor
Public
Daemon to monitor AiiDA MPDS workflows and send webhooks on task start/finish.
Python
•
MIT License
•0•1•1•0•Updated Mar 29, 2026Mar 29, 2026
ab_initio_calculations
Public
High-throughput ab initio calculations using CRYSTAL and FLEUR based on the MPDS data
Python
•
MIT License
•2•1•0•1•Updated Mar 19, 2026Mar 19, 2026
archivarius
Public
Browse 7z archives online in the web-browsers
javascript archive 7z
javascript archive 7z 7zip unarchive 7z-archives online-service 7zip-utility
JavaScript
•
MIT License
•0•15•5•0•Updated Feb 21, 2026Feb 21, 2026
tutorial
Public
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
data-science materials crystallography
data-science materials crystallography crystal-structure materials-science materials-informatics materials-platform phase-diagram phase-diagrams mpds-platform
HTML
•1•7•0•0•Updated Jan 24, 2026Jan 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
data-science materials crystallography
data-science materials crystallography crystal-structure materials-science materials-informatics materials-platform phase-diagram phase-diagrams calphad
HTML
•5•26•0•0•Updated Jan 24, 2026Jan 24, 2026
Graphs
Public
Scientific plots digitization app
TypeScript
•
GNU Affero General Public License v3.0
•3•1•0•0•Updated Dec 10, 2025Dec 10, 2025
visavis
Public
Web-viewer for materials science visualizations
visualization d3 plotly
visualization d3 plotly visualisation scientific-visualization d3js 3d-graphics d3-visualization mpds-platform scientific-plotting
TypeScript
•
MIT License
•4•7•4•0•Updated Oct 2, 2025Oct 2, 2025
optimade-mpds-nlp
Public
Free-form search terms translation into the Optimade query language
optimade optimade-specification optimade-api
optimade optimade-specification optimade-api
JavaScript
•
MIT License
•2•3•1•1•Updated Sep 17, 2025Sep 17, 2025
mpds-client
Public
MPDS API client library in Python
python crystallography crystal-structure
python crystallography crystal-structure materials-science materials-informatics materials-platform phase-diagram mpds-api mpds-platform
Python
•
MIT License
•4•6•7•2•Updated Sep 2, 2025Sep 2, 2025
mpds-distinct-phases
Public
Public dump of distinct phases (single-phase materials) known to PAULING FILE
Python
•1•3•0•1•Updated Jun 22, 2025Jun 22, 2025
absolute-zero
Public
A mobile app for a remote scientific database
JavaScript
•7•0•0•0•Updated Jan 29, 2025Jan 29, 2025
this-material-does-not-exist
Public
Vote on whether you think predicted crystal structures could be synthesised
TypeScript
•
MIT License
•5•1•0•1•Updated Jan 14, 2025Jan 14, 2025
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 cr…
machine-learning vasp crystallography
machine-learning vasp crystallography cif crystal-structure poscar materials-science ab-initio materials-informatics physical-properties
HTML
•
GNU Lesser General Public License v2.1
•2•11•4•0•Updated Oct 31, 2024Oct 31, 2024
mam_optimade
Public
MAM Abstract Modules for Optimade
0•0•0•0•Updated Jun 29, 2024Jun 29, 2024
mam_mpds
Public
MAM Abstract Modules for MPDS
0•0•0•0•Updated Jun 14, 2024Jun 14, 2024
mpds-ontology
Public
MPDS neuro-symbolic data mining
0•0•0•0•Updated Mar 31, 2024Mar 31, 2024
data-insights
Public
Curated insights from the MPDS data
HTML
•0•1•0•0•Updated Mar 28, 2024Mar 28, 2024
matbench
Public
Matbench: Benchmarks for materials science property prediction
Jupyter Notebook
•
MIT License
•60•1•0•1•Updated Jul 10, 2022Jul 10, 2022
ansible-mpds
Public archive
A collection of ansible scripts to facilitate mpds-aiida cluster deployment in the cloud
Python
•0•0•3•0•Updated Apr 21, 2022Apr 21, 2022
status
Public
MIT License
•0•1•0•0•Updated May 15, 2021May 15, 2021
discovery
Public archive
Source code for the Discovery app for Windows
C++
•1•1•0•0•Updated Nov 6, 2020Nov 6, 2020
mpds-aiida-ml
Public
A sample mashup code integrating different MPDS services together
Python
•1•0•0•0•Updated May 20, 2020May 20, 2020
pytheos
Public archive
Python tool set for equations of state.
Python
•
Apache License 2.0
•6•0•0•1•Updated Jul 18, 2018Jul 18, 2018

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MPDS

All

All

29 repositories

pylibcdr

quantum_macaroni

aiida-reoptimize

ermac

mpds-aiida

dft_organizer

aiida-mpds-monitor

ab_initio_calculations

archivarius

tutorial

mpds-api

Graphs

visavis

optimade-mpds-nlp

mpds-client

mpds-distinct-phases

absolute-zero

this-material-does-not-exist

mpds-ml-labs

mam_optimade

mam_mpds

mpds-ontology

data-insights

matbench

ansible-mpds

status

discovery

mpds-aiida-ml

pytheos

All

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Repositories list

29 repositories