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1. graphvae_approx graphvae_approx Public

   Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation

   Python 38 10

2. mol_mpnn mol_mpnn Public

   Efficient Learning of Message Passing Neural Networks for Molecular Property Production

   Python 16 3

3. kvasir_deep_learning kvasir_deep_learning Public

   Medical Image Classification/Segmentation

   Python 7 1

4. molecule_search_nmr molecule_search_nmr Public

   Molecular search by NMR spectrum based on evaluation of matching between spectrum and molecule

   Python 4 2

5. nmr_mpnn_pytorch nmr_mpnn_pytorch Public

   Neural Message Passing for NMR Chemical Shift Prediction

   Python 9 5

6. reaction_yield_nn reaction_yield_nn Public

   Uncertainty-aware prediction of chemical reaction yields with graph neural networks

   Python 18 7