MPDS

mpds-api

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

7zip.html

Browse 7z archives online in the web-browsers

mpds-ml-labs

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).

pylibcdr

Parse Corel Draw vector graphics from Python using libcdr

mpds-client

MPDS API client library in Python

tutorial

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

visavis

Web-viewer for materials science visualizations

ermac

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

mpds-aiida

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

mpds-distinct-phases

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

optimade-mpds-nlp

Free-form search terms translation into the Optimade query language

data-insights

Curated insights from the MPDS data

discovery

Source code for the Discovery app for Windows

Graphs

Scientific plots digitization app

matbench

Matbench: Benchmarks for materials science property prediction

status

ansible-mpds

A collection of ansible scripts to facilitate mpds-aiida cluster deployment in the cloud

mam_mpds

MAM Abstract Modules for MPDS

mpds-aiida-ml

A sample mashup code integrating different MPDS services together

mpds-ontology

MPDS neuro-symbolic data mining

pytheos

Python tool set for equations of state.

this-material-does-not-exist

Vote on whether you think predicted crystal structures could be synthesised