Nature

Setting the standard for machine learning in phase field prediction: a benchmark dataset and baseline metrics

Phase field models are an important mesoscale method that serves as a bridge between the atomic scale and the macroscale, used for modeling complex phenomena at the microstructure level. Machine ...
Nature

ACLPred: an explainable machine learning and tree-based ensemble model for anticancer ligand prediction

Several small molecules have been approved for cancer treatment, but the continuously growing cancer cases have further encouraged the identification of new anticancer drug compounds. Experimental ...