Repositories list

• mpds-ml-labs

  Public
  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).

  vaspcrystallographycif+ 10crystal-structureposcarmaterials-scienceab-initiomaterials-informaticsphysical-propertiesrandom-forest-regressor+ 3

  HTML

  •

  GNU Lesser General Public License v2.1

  •2•11•4•5•Updated Oct 31, 2024Oct 31, 2024

• ermac

  Public
  Ermac is a standalone MPDS platform GUI to be embedded in any website

  materials-sciencematerials-informaticsmaterials-platform+ 4materials-designmpds-apimaterials-genomempds-platform

  JavaScript

  •

  MIT License

  •3•3•7•1•Updated Sep 29, 2024Sep 29, 2024

• visavis

  Public
  Web-viewer for materials science visualizations

  visualizationd3plotly+ 7visualisationscientific-visualizationd3js3d-graphicsd3-visualizationmpds-platformscientific-plotting

  TypeScript

  •

  MIT License

  •4•7•6•0•Updated Sep 29, 2024Sep 29, 2024

• 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-sciencematerialscrystallography+ 9crystal-structurematerials-sciencematerials-informaticsmaterials-platformphase-diagramphase-diagramscalphad+ 2

  HTML

  •4•25•9•0•Updated Aug 29, 2024Aug 29, 2024

• mpds-distinct-phases

  Public
  Public dump of distinct phases (single-phase materials) known to PAULING FILE

  Python

  •1•3•0•0•Updated Aug 28, 2024Aug 28, 2024

• mpds-aiida

  Public
  Automated computational workflows based on the MPDS data platform using the CRYSTAL first-principles engine

  materials-scienceab-initiomaterials-informatics+ 1mpds-platform

  Python

  •

  MIT License

  •3•3•0•1•Updated Aug 21, 2024Aug 21, 2024

• this-material-does-not-exist

  Public
  Vote on whether you think predicted crystal structures could be synthesised

  TypeScript

  •

  MIT License

  •5•0•0•1•Updated Aug 9, 2024Aug 9, 2024

• mam_optimade

  Public
  MAM Abstract Modules for Optimade

  1•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

• tutorial

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

  materialscrystallographycrystal-structure+ 7materials-sciencematerials-informaticsmaterials-platformphase-diagramphase-diagramsmpds-platformdata-science

  HTML

  •1•7•0•0•Updated Apr 29, 2024Apr 29, 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

• Graphs

  Public
  Scientific plots digitization app

  TypeScript

  •

  GNU Affero General Public License v3.0

  •2•1•0•0•Updated Jan 24, 2024Jan 24, 2024

• optimade-mpds-nlp

  Public
  Free-form search terms translation into the Optimade query language

  optimadeoptimade-specificationoptimade-api

  JavaScript

  •

  MIT License

  •0•3•1•0•Updated Sep 22, 2023Sep 22, 2023

• mpds-client

  Public
  MPDS API client library in Python

  pythoncrystallographycrystal-structure+ 6materials-sciencematerials-informaticsmaterials-platformphase-diagrammpds-apimpds-platform

  Python

  •

  MIT License

  •3•5•8•0•Updated Mar 2, 2023Mar 2, 2023

• pylibcdr

  Public
  Parse Corel Draw vector graphics from Python using libcdr

  vector-graphicscoreldrawopenoffice+ 4open-officecdropenoffice-extensionlibcdr

  Python

  •2•7•2•0•Updated Mar 2, 2023Mar 2, 2023

• 7zip.html

  Public
  Browse 7z archives online in the web-browsers

  archive7z7zip+ 5unarchive7z-archivesonline-service7zip-utilityjavascript

  JavaScript

  •

  MIT License

  •0•15•5•1•Updated Aug 15, 2022Aug 15, 2022

• matbench

  Public
  Matbench: Benchmarks for materials science property prediction

  Jupyter Notebook

  •

  MIT License

  •48•1•0•1•Updated Jul 10, 2022Jul 10, 2022

• ansible-mpds

  Public
  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
  Python tool set for equations of state.

  Python

  •

  Apache License 2.0

  •6•0•0•1•Updated Jul 18, 2018Jul 18, 2018