Frank Noe

franknoe.bsky.social

28 March 2025 13:38

Spring in Berlin yay 💐

Pepe Márquez

pepe-marquez.bsky.social

19 March 2025 16:41

I just had the pleasure of listening to @txie.bsky.social talk about the wonders of MatterSim and MatterGen in Berlin. I think I heard correctly that for their calculations they get something of the order of 5000-10000 GPUs/CPUs in Azure for a couple of weeks! 😳🤯 Exciting times!

Frank Noe

franknoe.bsky.social

21 February 2025 17:20

Today we have published BioEmu-Benchmarks (MIT license): a code to evaluate the multi-conformation sampling benchmarks, MD free energy landscape benchmarks, and folding free energy benchmarks shown in the BioEmu-1 paper with BioEmu or your own model. Some details below 🧵 github.com/microsoft/bi...

Sebastian Raschka (rasbt)

rasbt.bsky.social

17 February 2025 00:04

It's 2025, and I’ve finally updated my Python setup guide to use uv + venv instead of conda + pip! Here's my go-to recommendation for uv + venv in Python projects for faster installs, better dependency management: github.com/rasbt/LLMs-f... (Any additional suggestions?)

Aron ⇋ e⁻

aronwalsh.github.io

12 February 2025 11:42

My two most common editorial suggestions for manuscripts I handle are: (i) improve writing style by avoiding exaggerated terms, and (ii) ensure machine learning studies include a repository for reproducibility and reuse of models and data #EditorLife #ChemSky