Exploring QSAR Models for Activity-Cliff Prediction
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Updated
May 17, 2024 - Jupyter Notebook
Exploring QSAR Models for Activity-Cliff Prediction
Official repository for On Over-Squashing in Message Passing Neural Networks (ICML 2023)
Multi-objective application placement in fog computing using graph neural network-based reinforcement learning
Melty Molecule is a molecular property prediction system that leverages graph neural networks to predict melting points of chemical compounds. The model uses a hybrid architecture combining Principal Neighborhood Aggregation (PNA) and Graph Isomorphism Networks (GIN) with edge updates and virtual node connectivity.
Exploration of vanilla GIN, GIN with edge heuristics in prediction head, Heuristics weighted Edge-GNN for link prediction in ogbl-ddi dataset
Alzheimer's Disease Classification Using Volume Correlations and Multi-Atlas Spatio-Contextual Graph Isomorphism Networks
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