seokhokang/graphvae_compress

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10
Rank 1,807,489 (Top 36 %)
Language
Python
Created over 4 years ago
Updated about 4 years ago

seokhokang/graphvae_compress

seokhokang

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Compressed Graph Representation for Scalable Molecular Graph Generation

graphvae_approx

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

mol_mpnn

Efficient Learning of Message Passing Neural Networks for Molecular Property Production

reaction_condition_vae

Generative Modeling to Predict Multiple Suitable Conditions for Chemical Reactions

nmr_mpnn

Neural Message Passing for NMR Chemical Shift Prediction

nmr_mpnn_pytorch

Neural Message Passing for NMR Chemical Shift Prediction

kvasir_deep_learning

Medical Image Classification/Segmentation

molecule_search_nmr

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

reaction_yield_nn

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

nmr_weakly_supervised

Predictive Modeling of NMR Chemical Shifts without Using Atomic-level Annotations

image_classification_example

PyTorch Implementation of CNN for Image Classification