Phil Ewels

ewels.bsky.social

30 December 2024 10:58

I stole this bash function from a friend years ago and have never thought about it since 😅 github.com/ewels/dotfil...

Jose Jimenez-Luna

jjimenezluna.bsky.social

07 December 2024 06:38

Excited to present what we've been up to the last couple years. Introducing BioEmu, a Biomolecular Emulator of protein dynamics: www.biorxiv.org/content/10.1...

Rommie Amaro

rommieamaro.bsky.social

07 December 2024 06:25

How about it @acspublications.bsky.social ? Let’s rethink what we do with data in hand: the drug disco community can use your data for blinded binding affinity predictions! This could be set up like CAMEO for protein structure prediction & CELPP for small molecule pose predictions

Andrew S. Rosen

andrewrosen.bsky.social

01 December 2024 02:25

Very useful looking Python package by BASF on evaluating MLIPs! github.com/basf/mlipx

Simon Mathis

simonmathis.bsky.social

20 November 2024 19:49

Amazing, thank you!