/tools/GNNs-For-Chemists
GNNs-For-Chemists
HFooladi/GNNs-For-Chemists
161 stars29 forksJupyter NotebookAdded February 4, 2026
summary
GNNs For Chemists provides implementations of various graph neural networks tailored for chemical problems. It serves as an educational resource, guiding users through the process of representing molecules as graphs and building models for predicting molecular properties.
description
Implementations of different GNNs from scratch for chemists
topics
gnngraph-neural-networkcheminformatics
Ratings
N/A
0 ratings
Rate this tool: