X-ray crystallography is a technique that uses X-ray diffraction patterns to determine high-resolution, three-dimensional structures of molecules such as proteins, small organic molecules ...

As an example, to analyze high-throughput X-ray diffraction data, an NSLS-II-led team of scientists developed the X-ray crystallography companion agent (XCA). This AI agent addresses material ...

Sixth People’s Hospital, School of Medicine & School of Biomedical Engineering, Shanghai Jiao Tong University, Shanghai 200030, P. R. China Centre for Personalized Nanomedicine, Australian Institute ...

2022 marks a new year as the world is trying to move through the COVID-19 pandemic. In response, Nano Letters pivoted to providing authors more allowances in their submissions and revisions, to ...

The API stands for the application programming interface, a way to get the MPDS scientific data automatically in a high-throughput manner for the machine analysis. The possible applications are ...

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials ...