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Found 3 papers, 1 papers with code
Deep Molecular Representation Learning via Fusing Physical and Chemical Information
To push the boundaries of molecular representation learning, we present PhysChem, a novel neural architecture that learns molecular representations via fusing physical and chemical information of molecules.
HamNet: Conformation-Guided Molecular Representation with Hamiltonian Neural Networks
Well-designed molecular representations (fingerprints) are vital to combine medical chemistry and deep learning.
Conformation-Guided Molecular Representation with Hamiltonian Neural Networks
Well-designed molecular representations (fingerprints) are vital to combine medical chemistry and deep learning.
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