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Zero Shot Molecular Generation via Similarity Kernels.
Rokas Elijosius
Fabian Zills
Ilyes Batatia
Sam Walton Norwood
Dávid Péter Kovács
Christian Holm
Gábor Csányi
Published in:
CoRR (2024)
Keyphrases
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similarity measure
kernel methods
similarity function
kernel function
three dimensional
distance function
distance measure
euclidean distance
machine learning
kernel learning
image retrieval
multiscale
feature space
support vector
distance metric
similarity measurement
multiple kernel learning