Preparing publication quality images from your calculations is essential. To pre-visualize images to get the best orientations of your molecule, DTK2.0 includes two options: a new GUI called DensToolKitViewer and DTKQDMol.
Gotta say, watching Scarlett Johansson making eyes at Aquilops is not getting old. Screengrab from this clip, the good stuff starts about 6:19. This short clip from the Tonight Show is also pretty great. Aaaand Halloween costume: sorted. I already have everything I need! (…except the lifelike Aquilops puppet.
This are just a few insights I have got from some of the talks I attended. As usual, this does not represent a report on the WATOC congress itself, but simply some aspects that caught my personal eye.
This blog post is an accompaniment for two recent presentations: “ Not playing at the edges, welcoming disruptive change ” and “ A Scholarly Communication landscape scan and update ” for which the slides are available . How do we make sense of the implications of current geopolitical, financial, and technological volatility?
Die EU-Migrationspolitik bewegt sich seit jeher zwischen Logiken selektiver Offenheit und Abschottung. Seit dem Sommer der Migration befindet sie sich in einer Konjunktur, in der sich Strategien einer stärkeren Europäisierung mit einer forcierten Renationalisierung konfrontiert sehen. In diesem Kontext entfalten sich aus den politischen Kämpfen und Rechtskämpfen widersprüchliche Dynamiken.
How can we document software and computational analyses in such a way that others can convince themselves of their validity, and build on them for their own work? The question has been around for many years, and a number of attempts have been made to provide partial answers. This post provides a brief review and describes my own tentative answer, inviting you to play with it. Explainable AI is a hot topic today.
This is the fifth part of a blog post series on spatial machine learning with R. You can find the list of other blog posts in this series in part one.
Every ten years, the city of Aarhus throws a giant conference to discuss new agendas for critical action and theory in computing.
We are excited to welcome Emi Tanaka and Nima Hejazi to our team of Associate Editors for rOpenSci Stats Software Peer Review.They join Laura DeCicco, Julia Gustavsen, Jouni Helske, Toby Hocking, Rebecca Killick, Anna Krystalli, Mauro Lepore, Noam Ross, Maëlle Salmon, Emily Riederer, Adam Sparks, Beatriz Milz, Margaret Siple and Jeff Hollister.Since 2015, rOpenSci has operated a thorough and collaborative software peer review system.Our
Most regular readers will know about DinoCon, a two-day semi-technical/semi-popular conference being run by SV-POW!’s own Darren Naish.
The MedChemica team announced yesterday on LinkedIN (23/6/25) the 1st patent for their ASAP consortium WO2025125695 with the somewhat cryptic title "CHEMICAL COMPOUNDS ID50000167790940 P. DOC 2025-05-07 FILING NO.:19".