LightNews LightNews
pythonf.bsky.social
@pythonf.bsky.social
11 followers 55 following 4 posts
Posts Replies Media Videos
pythonf.bsky.social
🔥 Embarrassingly parallel, embarrassingly simple!
🚀 Swap out tqdm for Laufband and scale across as many SLURM jobs as you want.
No complicated code changes, just results!
👉 github.com/zincware/lau...
May 6, 2025 at 7:13 AM
pythonf.bsky.social
Finally got around to updating the ZnTrack docs—took me way too long, but here we are! 🚀 Check them out zntrack.readthedocs.io/en/latest/
ZnTrackContentsMenuExpandLight modeDark modeAuto light/dark, in light modeAuto light/dark, in dark mode
zntrack.readthedocs.io
February 21, 2025 at 7:43 AM
Reposted
andrewrosen.bsky.social
Very useful looking Python package by BASF on evaluating MLIPs!

github.com/basf/mlipx
GitHub - basf/mlipx: Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation ...
Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPs). It offers a growing set of evaluation methods alongside ...
github.com
November 30, 2024 at 2:43 PM
pythonf.bsky.social
Want to build a Christmas tree out of molecules? Checkout my first entry for #AdventOfCode using #ZnDraw - find out how at zndraw.readthedocs.io/en/latest/20...
@unistuttgart.bsky.social
December 1, 2024 at 3:56 PM