The ability to work with tensors is fundamental in order to build models that can analyze and make decisions on large datasets. Two of the most popular tools for this purpose are PyTorch which was ...

Visualizing data is critical in today's data-intensive world. CCR supports various types of research including molecular structure design, protein-folding, computational chemistry and earthquake ...

These are two NMR shielding tensors computed for a (8,0) carbon nanotube with a Stone-Wales defect. The defect site is colored to show the heptagon-pentagon pattern of the defect.