README.md

Joltz

joltz is a straightforward translation of boltz-1 (and boltz-2!) from pytorch to JAX, which is compatible with all the nice features of JAX (JIT/vmap/etc).

This is primarily used for protein design using hallucination see boltz-binder-design.

For a bare-bones example of how to load and use the model see the example script.

Work in progress, collaboration/feedback/PRs welcome!

Tested with boltz 2.0.3; will almost certainly break with more recent versions.

TODO:

• Chunking ?
• Replace dictionaries with eqx.Modules
• Tastefully sprinkle some jax.lax.stop_grads in Boltz-2
• Finish boltz-2 confidence module
• Implement affinity module