diff --git a/assets/bindcraft/fast_4stage_multimer.json b/assets/bindcraft/fast_4stage_multimer.json new file mode 100644 index 0000000..8b29e04 --- /dev/null +++ b/assets/bindcraft/fast_4stage_multimer.json @@ -0,0 +1,67 @@ +{ + "omit_AAs": "C", + "force_reject_AA": false, + "use_multimer_design": true, + "design_algorithm": "4stage", + "sample_models": true, + "rm_template_seq_design": false, + "rm_template_seq_predict": false, + "rm_template_sc_design": false, + "rm_template_sc_predict": false, + "predict_initial_guess": false, + "predict_bigbang": false, + "soft_iterations": 40, + "temporary_iterations": 20, + "hard_iterations": 3, + "greedy_iterations": 8, + "greedy_percentage": 5, + "save_design_animations": false, + "save_design_trajectory_plots": false, + "weights_plddt": 0.1, + "weights_pae_intra": 0.4, + "weights_pae_inter": 0.1, + "weights_con_intra": 1.0, + "weights_con_inter": 1.0, + "intra_contact_distance": 14.0, + "inter_contact_distance": 20.0, + "intra_contact_number": 2, + "inter_contact_number": 2, + "weights_helicity": -0.3, + "random_helicity": false, + "use_i_ptm_loss": true, + "weights_iptm": 0.05, + "use_rg_loss": true, + "weights_rg": 0.3, + "use_termini_distance_loss": false, + "weights_termini_loss": 0.1, + "cyclize_peptide": false, + "enable_mpnn": true, + "mpnn_fix_interface": true, + "num_seqs": 10, + "max_mpnn_sequences": 1, + "sampling_temp": 0.1, + "backbone_noise": 0.00, + "model_path": "v_48_020", + "mpnn_weights": "soluble", + "save_mpnn_fasta": false, + "num_recycles_design": 1, + "num_recycles_validation": 2, + "optimise_beta": true, + "optimise_beta_extra_soft": 0, + "optimise_beta_extra_temp": 0, + "optimise_beta_recycles_design": 2, + "optimise_beta_recycles_valid": 2, + "remove_unrelaxed_trajectory": true, + "remove_unrelaxed_complex": true, + "remove_binder_monomer": true, + "zip_animations": false, + "zip_plots": false, + "save_trajectory_pickle": false, + "max_trajectories": false, + "enable_rejection_check": true, + "acceptance_rate": 0.01, + "start_monitoring": 600, + "af_params_dir": "", + "dssp_path": "", + "dalphaball_path": "" +}