Waiting for the preprint

Install Python>=3.0, PyTorch, Numpy.

• The main folder includes the execution code and test cases for ProdualNet. You can use it to design dual-target protein sequences, such as GLP-1/GCGR dual agonists, or proteins designed to bind with different receptors, causing conformational changes, using the weights produalnet_02.pt.

• The mutation_task folder is for a zero-shot protein function prediction task, including thermal stability and DDG.

• The baseline folder on this project contains a modified multi-state design model based on ProteinMPNN, supporting multiple target protein sequence design and multiple protein complex conformations sequence design.

• The current model only supports the design of natural amino acids.

• You may not use the material for commercial purposes.

This project is based on ProteinMPNN/Pifold/esm/BERT-pytorch, under their License.

Source: https://github.com/dauparas/ProteinMPNN, https://github.com/A4Bio/PiFold, https://github.com/facebookresearch/esm, https://github.com/codertimo/BERT-pytorch/tree/master