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1. ESPEI ESPEI Public

   Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

   Python 74 38

2. ESPEI-datasets ESPEI-datasets Public

   Datasets to be used by ESPEI. CC-BY-4.0

   TeX 13 18

3. dfttk-2021 dfttk-2021 Public

   Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

   Python 16 15

4. pySIPFENN pySIPFENN Public

   Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, …

   Python 24 5

5. ULTERA-contribute ULTERA-contribute Public

   A template repository for contributing to the ULTERA Database. Simply (1) fork it, (2) fill out the template, and (3) let us know the link.

   Python 3 11

6. PyQAlloy PyQAlloy Public

   PyQAlloy: Python tools for ensuring the Quality of Alloys data

   Python 3 2