Machine learning (ML) is transforming protein structure prediction. Algorithms can predict 3D structures from amino acid ...

If you rotate an image of a molecular structure, a human can tell the rotated image is still the same molecule, but a machine-learning model might think it is a new data point. In computer science ...

Overview: Interpretability tools make machine learning models more transparent by displaying how each feature influences ...

This schematic illustrates the MALIO software, a machine learning structure analysis tool designed to analyze and distinguish the local structures of BP I and BP II liquid crystal phases. By ...