An atom-bond transformer-based message passing neural network for molecular property prediction.
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Mar 8, 2023 - Python
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mpnn
Here are 6 public repositories matching this topic...
Official Implementation of Multi-Masked Aggregators for Graph Neural Networks in Pytorch and PyTorch Geometric
aggregator
mask
message-passing
mma
gcn
geometric-deep-learning
graph-attention-networks
node-classification
graphneuralnetwork
pna
mpnn
graphrepresentationlearning
multimaskaggregators
principalneighborhoodaggregators
graph-regression
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Mar 24, 2023 - Python
Predicting properties of small molecules using MPNN on QM9 dataset
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Feb 16, 2024 - Jupyter Notebook
Multiscale exploration of informative latent features for accurate deep eutectic solvents viscosity prediction
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Oct 30, 2024 - Python
Graph Neural Network creation module, implemented in Tensorflow 2 with examples using the module and the iGNNition library for fast GNN prototyping.
tensorflow
graphs
quantum-chemistry
graph-convolutional-networks
gnn
graph-neural-network
quantum-chemistry-qm9
radio-resource-management
scalable-radio-resource
qm9
mpnn
message-passing-neural-network
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Jun 17, 2021 - Python
Exploring numerous natural language processing techniques for antimicrobial peptide sequences.
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Oct 10, 2024 - Jupyter Notebook
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