Popular repositories Loading

1. FEP-DMC FEP-DMC Public

   Jupyter Notebook

2. Learning-AI4MaterialsScience Learning-AI4MaterialsScience Public

   This repo is designed to collect my footprints in the pathway of learning AI for materials science.

   Jupyter Notebook

3. symmetric-tensor-decomposition symmetric-tensor-decomposition Public

   Gradient Descent for Symmetric Tensor Decomposition

   Jupyter Notebook

4. PointGroupPy PointGroupPy Public

   A pure Python package for group theory focused on point groups. Ideal for crystal and molecular modeling.

   Python

5. cace cace Public

   Forked from BingqingCheng/cace

   Python

6. mace mace Public

   Forked from ACEsuit/mace

   MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

   Python