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1. pymatgen pymatgen Public

   Forked from materialsproject/pymatgen

   Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

   Python 2 1

2. DeepModelFusion DeepModelFusion Public

   L-G-DCNN improves material property predictions with a fusion strategy based on Chemical Environment Classification Vector.

   Python 1

3. BatteryManagementSystem BatteryManagementSystem Public

   Integrated software for comprehensive BMS strategy validation, SOC accuracy estimation, cell boundary definition, and battery data analysis.

   MATLAB 9

4. DenseGNN DenseGNN Public

   DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules

   Jupyter Notebook 8 2

5. maml maml Public

   maml (MAterials Machine Learning) is a Python package that aims to provide useful high-level interfaces that make ML for materials science as easy as possible.

   Jupyter Notebook 1

6. LLM-predictor LLM-predictor Public

   The strategy of material dataset based on Tokens, utilizing LLM to achieve material prediction, discovery, and design.

   Jupyter Notebook 3 2