import torch import esm model = esm.pretrained.esmfold_v1() model = model.eval().to(f'cuda:0') # Optionally, uncomment to set a chunk size for axial attention. This can help reduce memory. # Lower sizes will have lower memory requirements at the cost of increased speed. # model.set_chunk_size(128) sequence = "MKTVRQERLKSIVRILERSKEPVSGAQLAEELSVSRQVIVQDIAYLRSLGYNIVATPRGYVLAGG" # Multimer prediction can be done with chains separated by ':' with torch.no_grad(): output = model.infer_pdb(sequence) with open("result.pdb", "w") as f: f.write(output) import biotite.structure.io as bsio struct = bsio.load_structure("result.pdb", extra_fields=["b_factor"]) print(struct.b_factor.mean()) # this will be the pLDDT # 88.3