This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

PaCMAP: Large-scale Dimension Reduction Technique Preserving Both Global and Local Structure

The Materials Project Workshop Curriculum

the blessed package to manage your versions by scm tags

A beautiful, simple, clean, and responsive Jekyll theme for academics

Be a master builder of databases of material properties. Avoid the Kragle.

MongoDB aggregation machine

A script to prepare POSCAR's for NEB calculations with VTST and DiSPy.

[WIP] New API for Materials Project

The Fireworks Workflow Management Repo.

atomate is a powerful software for computational materials science and contains pre-built workflows.

Easily create a beautiful website using Academic and Hugo

A simple, robust and flexible just-in-time job management framework in Python.