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1. MaterialsFramework MaterialsFramework Public

   A modular Python framework for deploying, benchmarking, and analyzing state-of-the-art machine learning potentials and simulation workflows in materials science

   Python 29 4

2. PhaseForge PhaseForge Public

   PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integrated with ATAT and CALPHAD modeling. Includes tools for stru…

   Shell 76 5

3. PhaseForgePlus PhaseForgePlus Public

   Python-based workflow for generating and optimizing physically-informed CALPHAD models. Integrates MLIP thermodynamic data with PyCalphad and ESPEI, featuring efficient parameter fitting using Jans…

   Python 16 2

4. HEACalculator HEACalculator Public

   A Python tool for calculating phenomenological parameters based on thermodynamics and physics in order to predict the formation of solid solutions in High Entropy Alloys (HEAs)

   Python 9 1