AIMC Topic: Machine Learning

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Integration of machine learning with computational structural biology of plants.

The Biochemical journal
Computational structural biology of proteins has developed rapidly in recent decades with the development of new computational tools and the advancement of computing hardware. However, while these techniques have widely been used to make advancements...

Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural network.

The Journal of chemical physics
The affordable, accurate, and generalizable prediction of spectroscopic observables plays a key role in the analysis of increasingly complex experiments. In this article, we develop and deploy a deep neural network-XANESNET-for predicting the linesha...

GraphGONet: a self-explaining neural network encapsulating the Gene Ontology graph for phenotype prediction on gene expression.

Bioinformatics (Oxford, England)
MOTIVATION: Medical care is becoming more and more specific to patients' needs due to the increased availability of omics data. The application to these data of sophisticated machine learning models, in particular deep learning (DL), can improve the ...