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graph-isomorphism-networks

Here are 4 public repositories matching this topic...

QSAR-activity-cliff-experiments

MarkusFerdinandDablander / QSAR-activity-cliff-experiments

Exploring QSAR Models for Activity-Cliff Prediction

machine-learning deep-learning k-nearest-neighbours morgan-fingerprints supervised-machine-learning random-forests circular-fingerprints graph-neural-networks molecular-representation multilayer-perceptrons qsar-models extended-connectivity-fingerprints molecular-property-prediction graph-isomorphism-networks activity-cliffs activity-cliff-prediction physicochemical-descriptors binding-affinity-prediction

Updated May 17, 2024
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lrnzgiusti / on-oversquashing

Official repository for On Over-Squashing in Message Passing Neural Networks (ICML 2023)

graph-convolutional-networks graph-attention-networks graph-neural-networks graph-sage message-passing-neural-network oversquashing graph-isomorphism-networks

Updated Sep 4, 2023
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acsicuib / DRL-AC-Allocation

Multi-objective application placement in fog computing using graph neural network-based reinforcement learning

deep-reinforcement-learning pytorch multi-objective-optimization actor-critic-model graph-isomorphism-networks hiddems pid2021-128071ob-i00 orcid-0000-0003-2969-0597 orcid-0000-0002-2826-5970

Updated Aug 30, 2024
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BasRizk / AlzheimersOnGNN

Alzheimer's Disease Classification Using Volume Correlations and Multi-Atlas Spatio-Contextual Graph Isomorphism Networks

machine-learning deep-learning brain alzheimers-disease medical-image-analysis gnn medical-applications graph-isomorphism-networks

Updated Dec 18, 2023
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