Code to reproduce experiments of "Circular Stereo Algorithm and Fingerprint for Chiral Resonance Invariant Molecular Representation"
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Updated
Jun 7, 2026 - Python
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Molecular substructure graph attention network for molecular property identification in drug discovery. This is the starting point for my thesis project and is the fork of a repository from the paper https://doi.org/10.1016/j.patcog.2022.108659
bioinformatics molecular-structures gru tree-decompositions graph-attention-networks gnn embeddings-similarity ecfp
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Jun 27, 2024 - Python
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