Publications

The lack of interfaces between crystallographic data and machine learning methods prevents the application of modern deep learning frameworks to crystal structure determination. Here we present SFcalculator, a differentiable pipeline to generate...

Advances in X-ray techniques at Free Electron Laser and synchrotrons now enable the collection of diffraction snapshots from millions of micro crystals. These are often paired with physical or chemical perturbations to obtain movies of the response of...

Crystallography uses the diffraction of X-rays, electrons or neutrons by crystals to provide invaluable data on the atomic structure of matter, from single atoms to ribosomes. Much of crystallography's success is due to the software packages developed to...