Open rocke2020 opened 3 months ago
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
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