For more details read the thread by the man himself: bsky.app/profile/ncor...

An incredible project to witness, led by the most incredible dreamteam @ncorley.bsky.social , @simonmathis.bsky.social and Rohith Krishna with an amazing team inside and outside the Baker lab. Check it out and let us know what you think/contribute to the codebase! 6/6

The preprint shows how atomworks leads to better reference conformers (and better predictions!), enables advanced features in RF3 like chirality-aware training or ligand templating and narrows the performance gap to closed-source models. 5/6

`atomworks.ml` on the other hand offers advanced dataset featurization and sampling for deep learning workflows, all operating on the canonical AtomArray object from @biotite_python so that all transforms are traceable and generalizable between models. 4/6

AtomWorks has two main components: atomworks.io takes a file (cif, sdf, ...) and does parsing, cleaning and more. You can also look at your structures in a notebook or via PyMol thanks to pymol-remote, so you can directly inspect if your code does what you want! 3/6

In the past, every BioML model had its own data pipeline, creating loads of overhead. With AtomWorks, >80% of code is shared between models like ProteinMPNN, RF3 or design models. 2/6

So excited for you and what is to come! Onwards and Upwards;)