Picture for Tomasz Danel

Tomasz Danel

KinDEL: DNA-Encoded Library Dataset for Kinase Inhibitors

Add code
Oct 11, 2024
Viaarxiv icon

ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction

Add code
Oct 07, 2022
Figure 1 for ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction
Figure 2 for ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction
Figure 3 for ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction
Figure 4 for ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction
Viaarxiv icon

Relative Molecule Self-Attention Transformer

Add code
Oct 12, 2021
Figure 1 for Relative Molecule Self-Attention Transformer
Figure 2 for Relative Molecule Self-Attention Transformer
Figure 3 for Relative Molecule Self-Attention Transformer
Figure 4 for Relative Molecule Self-Attention Transformer
Viaarxiv icon

SONG: Self-Organizing Neural Graphs

Add code
Jul 28, 2021
Figure 1 for SONG: Self-Organizing Neural Graphs
Figure 2 for SONG: Self-Organizing Neural Graphs
Figure 3 for SONG: Self-Organizing Neural Graphs
Figure 4 for SONG: Self-Organizing Neural Graphs
Viaarxiv icon

Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction

Add code
Nov 23, 2020
Figure 1 for Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction
Figure 2 for Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction
Figure 3 for Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction
Figure 4 for Comparison of Atom Representations in Graph Neural Networks for Molecular Property Prediction
Viaarxiv icon

Processing of incomplete images by (graph) convolutional neural networks

Add code
Oct 26, 2020
Figure 1 for Processing of incomplete images by (graph) convolutional neural networks
Figure 2 for Processing of incomplete images by (graph) convolutional neural networks
Figure 3 for Processing of incomplete images by (graph) convolutional neural networks
Figure 4 for Processing of incomplete images by (graph) convolutional neural networks
Viaarxiv icon

We Should at Least Be Able to Design Molecules That Dock Well

Add code
Jul 01, 2020
Figure 1 for We Should at Least Be Able to Design Molecules That Dock Well
Figure 2 for We Should at Least Be Able to Design Molecules That Dock Well
Figure 3 for We Should at Least Be Able to Design Molecules That Dock Well
Figure 4 for We Should at Least Be Able to Design Molecules That Dock Well
Viaarxiv icon

Molecule Attention Transformer

Add code
Feb 19, 2020
Figure 1 for Molecule Attention Transformer
Figure 2 for Molecule Attention Transformer
Figure 3 for Molecule Attention Transformer
Figure 4 for Molecule Attention Transformer
Viaarxiv icon

Geometric Graph Convolutional Neural Networks

Add code
Sep 11, 2019
Figure 1 for Geometric Graph Convolutional Neural Networks
Figure 2 for Geometric Graph Convolutional Neural Networks
Figure 3 for Geometric Graph Convolutional Neural Networks
Figure 4 for Geometric Graph Convolutional Neural Networks
Viaarxiv icon