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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
48 lines
1.2 KiB
YAML
48 lines
1.2 KiB
YAML
# @package _global_
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defaults:
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- ppi
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- ../datasets/val/val_examples/bcov_ppi_easy_medium_with_ori@datasets.val.bcov_ppi_easy_medium.dataset.data
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- _self_
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name: ppi_hdm
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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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- 07-07-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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datasets: # NOTE: in contrast to the old branch, we're using the full atom14 association scheme here
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diffusion_batch_size_train: 8
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crop_size: 384
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global_transform_args:
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keep_full_binder_in_spatial_crop: True
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max_binder_length: 256
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sigma_perturb: 5 # Such that the ori token isn't fixed too closely
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center_option: diffuse
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meta_conditioning_probabilities:
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add_ppi_hotspots: 0.75
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full_binder_crop: 1.0 # Note that this leaks the sequence length
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train:
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pdb:
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sub_datasets:
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interface:
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dataset:
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transform:
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max_atoms_in_crop: 5000
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model:
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net:
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inference_sampler:
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center_option: diffuse
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diffusion_module:
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diffusion_atom_encoder:
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c_atom_1d_features: 395
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atom_1d_features:
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is_atom_level_hotspot: 1
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