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foundry/models/rfd3/configs/experiment/ppi_hdm.yaml
Jasper Butcher 5e7b739ed3 Add initial RFD3 Files and passing tests
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YAML

# @package _global_
defaults:
- ppi
- ../datasets/val/val_examples/bcov_ppi_easy_medium_with_ori@datasets.val.bcov_ppi_easy_medium.dataset.data
- _self_
name: ppi_hdm
tags:
- atom14
- ppi
- atom-level-hotspots
- ${datasets.global_transform_args.central_atom}
- 07-07-branch
- sl2-base
- full-binder-crop
- crop-size-384
- diffused-centered
datasets: # NOTE: in contrast to the old branch, we're using the full atom14 association scheme here
diffusion_batch_size_train: 8
crop_size: 384
global_transform_args:
keep_full_binder_in_spatial_crop: True
max_binder_length: 256
sigma_perturb: 5 # Such that the ori token isn't fixed too closely
center_option: diffuse
meta_conditioning_probabilities:
add_ppi_hotspots: 0.75
full_binder_crop: 1.0 # Note that this leaks the sequence length
train:
pdb:
sub_datasets:
interface:
dataset:
transform:
max_atoms_in_crop: 5000
model:
net:
inference_sampler:
center_option: diffuse
diffusion_module:
diffusion_atom_encoder:
c_atom_1d_features: 395
atom_1d_features:
is_atom_level_hotspot: 1