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exmol
exmol PublicForked from ur-whitelab/exmol
Explainer for black box models that predict molecule properties
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graph_nets
graph_nets PublicForked from dsgiitr/graph_nets
PyTorch Implementation and Explanation of Graph Representation Learning papers: DeepWalk, GCN, GraphSAGE, ChebNet & GAT.
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scent-gnn
scent-gnn PublicForked from mike-gee/scent-gnn
Classifying and understanding molecule scent with GNN.
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ABT-MPNN
ABT-MPNN PublicForked from LCY02/ABT-MPNN
An atom-bond transformer-based message passing neural network for molecular property prediction.
Python
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mpnn
mpnn PublicForked from rangsimanketkaew/mpnn
Message-Passing Neural Network for Chemistry
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OlfactorySpace
OlfactorySpace PublicForked from emayhew/OlfactorySpace
This repository will houses data and code used to build odorous/odorless classification models, draw borders of olfactory space, and estimate the number of possible odorants.
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