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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 25 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 67 3

3. PhaseForgePlus PhaseForgePlus Public

   A computationally efficient, fully open-source workflow for physically-informed CALPHAD model generation and parameter fitting.

   Python 12 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 6