atomate

Last released on Jun 1, 2020

atomate has implementations of FireWorks workflows for Materials Science

matminer

Last released on May 4, 2020

matminer is a library that contains tools for data mining in Materials Science

pymatgen

Last released on Apr 29, 2020

Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project (https://www.materialsproject.org).

FireWorks

Last released on Nov 15, 2019

FireWorks workflow software

chronograph

Last released on Feb 9, 2016

Chronograph is a simple stopwatch / chronometer / chronograph for timing Python code.

pythonbase

Last released on Sep 23, 2015

pythonbase is a skeleton for creating Python projects