MaterialsProject.org - Services for Machine Learning and PyMatGen

Posted about this website about 4 years ago. Looks like materialsproject.org have enhanced their services to include Machine Learning as well:  
https://next-gen.materialsproject.org/ml

Open Source Software:
https://next-gen.materialsproject.org/about/open-source-software

https://pymatgen.org/


Pymatgen
The Python Materials Genomics (pymatgen) package is a robust, open source Python library for materials analysis. It currently powers the Materials Project.

Some of pymatgen's main features include:

Highly flexible classes for the representation of Element, Site, Molecule, Structure and other objects used in typical materials analyses.
Extensive io capabilities to manipulate many input and output files formats, including VASP and the crystallographic information file format.
Analytical tools such as phase diagram generation, reaction balancing and calculation, electronic structure (DOS and Bandstructure) analyses, etc.
Simple yet powerful routines for accessing the Materials API to get materials data.
Using pymatgen and the Materials API, you can perform sophisticated analyses on large materials data sets obtained from the Materials Project.

Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features:

Highly flexible classes for the representation of Element, Site, Molecule and Structure objects.
Extensive input/output support, including support for VASP, ABINIT, CIF, Gaussian, XYZ, and many other file formats.
Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc.
Electronic structure analyses, such as density of states and band structure.
Integration with the Materials Project REST API.

https://github.com/materialsproject/pymatgen