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foundry/models/rfd3/configs/experiment/ppi_hdm_hb.yaml
Jasper Butcher 5e7b739ed3 Add initial RFD3 Files and passing tests
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2025-11-11 10:07:43 -08:00

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YAML

# @package _global_
defaults:
- ppi_hdm
- ../datasets/val/val_examples/bpem_ori_hb@datasets.val.bcov_ppi_easy_medium.dataset.data
- _self_
name: ppi_hdm_hb
tags:
- atom14
- ppi
- atom-level-hotspots
- ${datasets.global_transform_args.central_atom}
- 05-23-branch
- sl2-base
- full-binder-crop
- crop-size-384
- diffused-centered
- motif-t-zero
- seq-head-detached
- hbond-conditioning
model:
net:
diffusion_module:
diffusion_atom_encoder:
c_atom_1d_features: 397
atom_1d_features:
active_donor: 1
active_acceptor: 1
datasets:
global_transform_args:
meta_conditioning_probabilities:
calculate_hbonds: 0.3 # Fraction of the time we give hbond conditioning
hbond_subsample: 0.5 # Fraction of the time we subsample the hbonds vs giving all of them