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 ...

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

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 ...

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

If nonliving materials can produce rich, organized mixtures of organic molecules, then the traditional signs we use to ...