MDAnalysis

mdanalysis.bsky.social

21 August 2026 15:29

We are running an in-person Molecular Nodes workshop! 🗓️ Sept. 17-18, 2026 🕐 Day 1: 10:00-17:00 BST, Day 2: 10:00-15:30 BST 📍 @kingscollegelondon.bsky.social, Strand Campus 💷 Free, with lunch and coffee ❗ Application Deadline: Sept. 4 at 23:59 BST 🔗 Register here: www.mdanalysis.org/2026/08/18/m...

Noel O'Boyle

baoilleach.bsky.social

10 August 2026 17:32

We're still looking for candidates who are interested in working on an industry-relevant project in close collab with a major pharmaceutical company. It's a really nice opportunity for someone looking to transition to an industry position. #chemjobs #phdjobs #cheminformatics #bioinformatics

Edward Linscott

elinscott.github.io

21 July 2026 09:10

New preprint out overnight! 🎉 We show that DFT+U+V is — to first order in V/U — DFT+U acting on hybridized, density-dependent (!) projectors: +V doesn't add new physics so much as change where the +U correction is applied 🥸 with Alberto Carta and Nicola Marzari arxiv.org/abs/2607.18071

Finlay Clark

finlayclark.bsky.social

30 June 2026 18:18

Interested in training bespoke molecular mechanics force fields quickly? Give our package a go github.com/cole-group/p... !

pen(Taka)

iwatobipen.bsky.social

28 June 2026 11:13

Predict compounds profiles with openadmet models #cheminformatics #Open ADMET As most of readers know that Open Molecular Software Founcation (OMSF) has lots of attractive projects. Such as Alchemistry, Open Free Energy, Open Fold and Open ADMET etc. Predict ADMET properties for drug design is…