graph-isomorphism-networks

There are 0 repository under graph-isomorphism-networks topic.

QSAR-activity-cliff-experiments
MarkusFerdinandDablander / QSAR-activity-cliff-experiments
Exploring QSAR Models for Activity-Cliff Prediction
deep-learning extended-connectivity-fingerprints graph-neural-networks machine-learning molecular-property-prediction molecular-representation qsar-models activity-cliff-prediction activity-cliffs binding-affinity-prediction physicochemical-descriptors graph-isomorphism-networks circular-fingerprints morgan-fingerprints k-nearest-neighbours multilayer-perceptrons random-forests supervised-machine-learning
Language:Jupyter Notebook 13
lrnzgiusti / on-oversquashing
Official repository for On Over-Squashing in Message Passing Neural Networks (ICML 2023)
graph-attention-networks graph-convolutional-networks graph-isomorphism-networks graph-neural-networks graph-sage message-passing-neural-network oversquashing
Language:Jupyter Notebook 11
acsicuib / DRL-AC-Allocation
Multi-objective optimization problem of application placement in the cloud continuum using Deep Reinforcement Learning
pytorch actor-critic-model deep-reinforcement-learning multi-objective-optimization graph-isomorphism-networks
Language:Jupyter Notebook 3
BasRizk / AlzheimersOnGNN
Alzheimer's Disease Classification Using Volume Correlations and Multi-Atlas Spatio-Contextual Graph Isomorphism Networks
alzheimers-disease brain deep-learning gnn graph-isomorphism-networks machine-learning medical-applications medical-image-analysis
Language:Jupyter Notebook