GitHub

City2Graph: GeoAI with Graph Neural Networks (GNNs) and Spatial Network Analysis

This installs the core functionality without PyTorch and PyTorch Geometric. To use PyTorch and PyTorch Geometric with City2Graph installed from conda-forge, you need to manually add these libraries to ...
IEEE

Multiscale Motif-Aware Relation Graph Structure for Drug-Target Binding Affinity Prediction

Abstract: Exploring drug-target binding affinity (DTA) is essential for drug discovery. Numerous works rely on the one-dimensional SMILES representation of drugs for predicting drug-target affinity, ...
GitHub

A javascript library that provides rendering capabilities for CFD, scatterplot and Histogram graphs. It uses d3js for graph rendering.

graphs-renderer is designed to work alongside certain tools that you're likely to have in your project. To avoid version conflicts and ensure compatibility, we list these tools as peer dependencies: ...
IEEE

Property-Guided Few-Shot Learning for Molecular Property Prediction With Dual-View Encoder and Relation Graph Learning Network

Abstract: Molecular property prediction is an important task in drug discovery. However, experimental data for many drug molecules are limited, especially for novel molecular structures or rare ...