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binders designed don't binds at the hotspots of the target chain.

Open rocke2020 opened this issue 1 year ago • 0 comments

run file: af/examples/peptide_binder_design.ipynb hope: the binder binds at the hotspot, e.g. 32-41 index in the target chain. results: the binder not binds at the hotspots at the target chain at all.

configs (use 1YCR because it is simple): pdb = "1YCR" target_hotspot: "32-41" target_chain: "A" target_flexible: false binder_chain = "" binder_len: 12 binder_seq: "" num_recycles: 3 recycle_mode: "sample" num_models: 5 use_multimer: True optimizer_protocol: "pssm_semigreedy" soft_iters: 150 hard_iters: 20 gd_method: "sgd" learning_rate: 0.05 norm_seq_grad: True dropout: True

rocke2020 avatar Apr 10 '24 07:04 rocke2020