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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. DenseGNN DenseGNN Public

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

   Jupyter Notebook 30 9

3. SSE SSE Public

   Assessment and Application of Universal Machine Learning Interatomic Potentials in Solid-State Electrolyte Research

   Jupyter Notebook 11 3

4. MatClaw MatClaw Public

   Forked from DingyangLyu/MatClaw

   MatClaw is an AI agent that autonomously performs materials science computations. You describe a task in natural language — it writes Python/shell scripts, runs them inside an isolated Docker conta…

   TypeScript

5. DenseGNN-torch DenseGNN-torch Public

   Official implementation of DenseGNN — a universal, scalable, and efficient graph neural network (GNN) for high-performance property prediction in crystals and molecules.

   Python

6. DeepModelFusion DeepModelFusion Public

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

   Python 1 1