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1. reciprocal_space_attention reciprocal_space_attention Public

   Reciprocal Space Attention (RSA) for Learning Long-Range Interactions

   Python

2. polymer_generation polymer_generation Public

   Sequence based polymer generation (in-progress)

   Python 1

3. MACE_LR MACE_LR Public

   EwaldMP for MACE

   Python

4. ace_mlip_algan ace_mlip_algan Public

   Paper data, models, mapping fcs, MD

   Jupyter Notebook

5. ThermalTransportSodiumSuperxoide ThermalTransportSodiumSuperxoide Public

   Thermal Transport in hybrid RIGID body systems

   C++

6. Projects Projects Public

   Quick references for some projects I've worked on previously

   Python