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17 lines
930 B
YAML
17 lines
930 B
YAML
_target_: boltzgen.task.filter.filter.Filter
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budget: 30
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top_budget: 10
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use_affinity: false # This changes the filtering metrics to metrics more amenable to small molecule binder design
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filter_cysteine: false # [different from peptide-protein] This filters out all designs that have designed cysteins in them (prespecified cysteins in the design are not counted)
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from_inverse_folded: false # This makes it so that we use the backbone refolding rmsd instead of the all-atom RMSD
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filter_bindingsite: false # This filters out everything that does not have a residue within 4A of a binding site residue
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modality: "peptide" # peptide or antibody
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peptide_type: "linear" # linear or cyclic
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alpha: 0.001 # 0 quality-only 1 diversity-only
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random_state: 0
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metrics_override: null # overrides metrics None values delete keys
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num_liability_plots: 0
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plot_seq_logos: false # make sequence logo diagrams of designed sequence
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