Pinned Repositories
graphvae_approx
Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation
graphvae_compress
Compressed Graph Representation for Scalable Molecular Graph Generation
image_classification_example
PyTorch Implementation of CNN for Image Classification
kvasir_deep_learning
Medical Image Classification/Segmentation
mol_mpnn
Efficient Learning of Message Passing Neural Networks for Molecular Property Production
molecule_search_nmr
Molecular search by NMR spectrum based on evaluation of matching between spectrum and molecule
nmr_mpnn
Neural Message Passing for NMR Chemical Shift Prediction
nmr_mpnn_pytorch
Neural Message Passing for NMR Chemical Shift Prediction
reaction_condition_vae
Generative Modeling to Predict Multiple Suitable Conditions for Chemical Reactions
reaction_yield_nn
Uncertainty-aware prediction of chemical reaction yields with graph neural networks
seokhokang's Repositories
seokhokang/graphvae_approx
Efficient Learning of Non-Autoregressive Graph Variational Autoencoders for Molecular Graph Generation
seokhokang/mol_mpnn
Efficient Learning of Message Passing Neural Networks for Molecular Property Production
seokhokang/reaction_yield_nn
Uncertainty-aware prediction of chemical reaction yields with graph neural networks
seokhokang/graphvae_compress
Compressed Graph Representation for Scalable Molecular Graph Generation
seokhokang/nmr_mpnn
Neural Message Passing for NMR Chemical Shift Prediction
seokhokang/nmr_mpnn_pytorch
Neural Message Passing for NMR Chemical Shift Prediction
seokhokang/reaction_condition_vae
Generative Modeling to Predict Multiple Suitable Conditions for Chemical Reactions
seokhokang/kvasir_deep_learning
Medical Image Classification/Segmentation
seokhokang/molecule_search_nmr
Molecular search by NMR spectrum based on evaluation of matching between spectrum and molecule
seokhokang/image_classification_example
PyTorch Implementation of CNN for Image Classification
seokhokang/nmr_weakly_supervised
Predictive Modeling of NMR Chemical Shifts without Using Atomic-level Annotations
seokhokang/retention_time_gnn
Retention Time Prediction through Learning from Small Training Dataset with Pre-Trained Graph Neural Network
seokhokang/conditional-molecular-design-ssvae
seokhokang/dl4chem-geometry