Atomworks is an open-source platform that maximizes research velocity for biomolecular modeling tasks. Much like how Torchdata enables rapid prototyping within the vision and language domains, AtomWorks aims to accelerate development and experimentation within biomolecular modeling.
To facilitate the development of new models, we present AtomWorks: a broadly applicable data framework for developing state-of-the-art biomolecular foundation models spanning diverse tasks, including structure prediction, generative protein design, and fixed backbone sequence design. We use AtomWorks to train RosettaFold-3 (RF3), a structure prediction network capable of predicting arbitrary biomolecular complexes with an improved treatment of chirality that narrows the performance gap between closed-source AlphaFold3 (AF3) and existing open-source implementations. We expect that AtomWorks will accelerate the next generation of open-source biomolecular machine learning models and that RF3 will be broadly useful as a structure prediction tool. To this end, we release the AtomWorks framework, together with curated training data, code and model weights for RF3 under a permissive BSD license