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1. Awesome-Machine-learning-for-discovery-of-physical-laws Awesome-Machine-learning-for-discovery-of-physical-laws Public

   A curated list of awesome resources on using machine learning and data science for discovery of physical laws

   40 5

2. superlouis/GATGNN superlouis/GATGNN Public

   Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction

   Python 88 17

3. deeperGATGNN deeperGATGNN Public

   Scalable graph neural networks for materials property prediction

   Python 66 7

4. mtransformer mtransformer Public

   Materials Transformers

   Python 25 4

5. cspbenchmark cspbenchmark Public

   Benchmark of crystal structure prediction algorithms

   Python 16

6. uFlowCSP uFlowCSP Public

   Fast crystal structure prediction with meanflow generative models

   Python 1