Model Weights

There are several checkpoint files in the model_weights directory that can be used with HBDesigner or you can supply your own. You can use the design_model, design_model_ckpt, or packing_model_ckpt command line options to specify which checkpoint file you want to use for the various operations HBDesigner performs.

Here we will briefly describe the various checkpoint files and their uses.

• design_020.pt: Default design checkpoint. It is the high-noise option for the two provided design models. It is best for sampling small networks (2-3 residues) and can give greater sample diversity.

• design_002.pt: Low-noise model and is best for large (4+ residues) networks and is more precise than design_020.pt.

• pack.pt: Provided model for packing calculations.

• pippack_model_x_ckpt.pt: These three models were used for benchmarking purposes and are not recommended for general use.