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1. the-matter-lab/quetzal the-matter-lab/quetzal Public

   A scalable architecture for generating 3D molecules atom-by-atom

   HTML 15 6

2. the-matter-lab/stiefelFM the-matter-lab/stiefelFM Public

   Code for "Stiefel Flow Matching for Moment-Constrained Structure Elucidation"

   Jupyter Notebook 11 1

3. the-matter-lab/kreed the-matter-lab/kreed Public

   Code for Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance

   Jupyter Notebook 5 1

4. the-matter-lab/group-selfies the-matter-lab/group-selfies Public

   Jupyter Notebook 78 18

5. psyduck psyduck Public

   Pinnacle hackathon

   Jupyter Notebook

6. streamlit-olympus streamlit-olympus Public

   Streamlit web app for exploring Olympus

   Python