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1.
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units.
J Chem Inf Model
; 64(5): 1568-1580, 2024 Mar 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38382011
2.
A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters.
J Chem Phys
; 153(2): 024302, 2020 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-32668919
3.
Preparing for the next pandemic via transfer learning from existing diseases with hierarchical multi-modal BERT: a study on COVID-19 outcome prediction.
Sci Rep
; 12(1): 10748, 2022 06 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-35750878
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