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1. molssi-ai/xnn molssi-ai/xnn Public

   Neural network interatomic potentials for chemistry and materials

   Python

2. molssi-ai/e3nn-course molssi-ai/e3nn-course Public

   Hands-on tutorials for building equivariant neural network potentials in chemistry

   Jupyter Notebook 11 3

3. molssi-ai/bertology molssi-ai/bertology Public

   Repository of artifacts for the BERTology manuscript

   Python 3 1

4. MolSSI-Education/gpu_programming_beginner MolSSI-Education/gpu_programming_beginner Public

   Fundamentals of heterogeneous parallel programming with CUDA C/C++ at the beginner level.

   Python 11 2

5. OpenRDM OpenRDM Public archive

   An open-source library for reduced-density matrix-based analysis and computation

   C++ 20 5

6. MolSSI/zenopy MolSSI/zenopy Public

   An open-source Python library for Zenodo REST API

   Python 7 2