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* Add initial files * add files * Move projects.aa_design -> rfd3 * Make format * Delete test files * Add configs * Mc * Fixed tests * remove test files
35 lines
847 B
YAML
35 lines
847 B
YAML
# @package _global_
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defaults:
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- ppi_hdm
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- ../datasets/val/val_examples/bpem_ori_hb@datasets.val.bcov_ppi_easy_medium.dataset.data
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- _self_
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name: ppi_hdm_hb
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tags:
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- atom14
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- ppi
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- atom-level-hotspots
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- ${datasets.global_transform_args.central_atom}
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- 05-23-branch
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- sl2-base
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- full-binder-crop
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- crop-size-384
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- diffused-centered
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- motif-t-zero
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- seq-head-detached
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- hbond-conditioning
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model:
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net:
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diffusion_module:
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diffusion_atom_encoder:
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c_atom_1d_features: 397
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atom_1d_features:
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active_donor: 1
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active_acceptor: 1
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datasets:
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global_transform_args:
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meta_conditioning_probabilities:
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calculate_hbonds: 0.3 # Fraction of the time we give hbond conditioning
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hbond_subsample: 0.5 # Fraction of the time we subsample the hbonds vs giving all of them |