2024-03-05 06:38:17 +00:00
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job_name: "structure_prediction"
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output_path: ""
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checkpoint_path: RFAA_paper_weights.pt
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database_params:
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sequencedb: ""
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2024-03-10 20:36:17 +00:00
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hhdb: "pdb100_2021Mar03/pdb100_2021Mar03"
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2024-03-05 06:38:17 +00:00
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command: make_msa.sh
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num_cpus: 4
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mem: 64
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protein_inputs: null
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na_inputs: null
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sm_inputs: null
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covale_inputs: null
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residue_replacement: null
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chem_params:
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use_phospate_frames_for_NA: True
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use_cif_ordering_for_trp: True
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loader_params:
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n_templ: 4
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MAXLAT: 128
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MAXSEQ: 1024
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MAXCYCLE: 4
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BLACK_HOLE_INIT: False
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seqid: 150.0
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legacy_model_param:
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n_extra_block: 4
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n_main_block: 32
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n_ref_block: 4
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n_finetune_block: 0
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d_msa: 256
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d_msa_full: 64
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d_pair: 192
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d_templ: 64
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n_head_msa: 8
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n_head_pair: 6
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n_head_templ: 4
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d_hidden_templ: 64
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p_drop: 0.0
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use_chiral_l1: True
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use_lj_l1: True
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use_atom_frames: True
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recycling_type: "all"
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use_same_chain: True
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lj_lin: 0.75
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SE3_param:
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num_layers: 1
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num_channels: 32
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num_degrees: 2
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l0_in_features: 64
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l0_out_features: 64
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l1_in_features: 3
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l1_out_features: 2
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num_edge_features: 64
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n_heads: 4
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div: 4
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SE3_ref_param:
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num_layers: 2
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num_channels: 32
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num_degrees: 2
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l0_in_features: 64
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l0_out_features: 64
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l1_in_features: 3
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l1_out_features: 2
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num_edge_features: 64
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n_heads: 4
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div: 4
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