"One of the key challenges of machine learning approaches is their generalization ... ligand neo-surfaces never seen before. It seems that geometric descriptors of molecular surfaces extracted ...

“Geometric deep learning is likely going ... “The technology lets you train a machine learning model that enables you to do as much design exploration as you like. This also increases the ...

Thanks to advances in cloud computing, you can often run very large machine learning models without noticing how much computational power works behind the scenes. But every new feature that you ...

To address this issue, scientists have come up with various machine learning models ... the team built a geometric deep learning model called "Graph Fully-Convolutional Network" (GFCN).

“One of the key challenges of machine learning approaches is their ... fingerprints from protein molecular surfaces using geometric deep learning, Nature Methods (2020) 2: P.