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5e7b739ed3
* Add initial files * add files * Move projects.aa_design -> rfd3 * Make format * Delete test files * Add configs * Mc * Fixed tests * remove test files
30 lines
1.1 KiB
YAML
30 lines
1.1 KiB
YAML
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_target_: rfd3.transforms.training_conditions.IslandCondition
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frequency: 1.0
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name: island
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# Island sampling (`is_motif_token` assignment)
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island_sampling_kwargs:
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island_len_min: 1
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island_len_max: 25
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n_islands_min: 2
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n_islands_max: 5
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# Subgraph / within-token sampling (`is_motif_atom` assignment)
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p_diffuse_motif_sidechains: 0.80 # 80% probability of diffusing sidechains
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p_diffuse_subgraph_atoms: 0.0 # 0% probability of sampling subgraph atoms (defaults to fully fixed)
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subgraph_sampling_kwargs: # see tipatom
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residue_p_seed_furthest_from_o: null
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residue_n_bond_expectation: null
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residue_p_fix_all: null
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hetatom_n_bond_expectation: null
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hetatom_p_fix_all: null
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# Sets `is_motif_atom_with_fixed_seq`
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p_fix_motif_sequence: 0.2 # probability that sequence is fixed for all motifs during training
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# Sets `is_motif_atom_with_fixed_coord`
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p_fix_motif_coordinates: 1.0 # Of the atoms that are sampled, should their coordinates be fixed?
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# Sets `is_motif_atom_with_unindexed`
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p_unindex_motif_tokens: 0.0 # probability of unindexing all motif atoms
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