Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor Descriptor: 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]meth
The dataset contains the training data and test data used in the study of 'A Physics-Informed Dynamic and Constrained Machine Learning Framework for CO2 Saturation Prediction in Geological Carbon Stor
data files, including ML models of dynamic classifiers, trajectories of electronic structure and geometric features, optimized geometries, and final csv files.
