config/experiment/test.yaml

# @package _global_
defaults:
  - override /data: cameo22
  - override /model: simplefold
  - override /model/architecture: foldingdit_100M
  - override /model/sampler: euler_maruyama
  - override /model/processor: protein_processor
  - override /callbacks: default
  - override /trainer: default

load_ckpt_path: artifacts/simplefold_100M.ckpt
seed: 12345

data:
  num_repeats: 1
  filters:
    - _target_: onescience.datapipes.boltz_data_pipeline.filter.dynamic.max_residues.MaxResiduesFilter
      min_residues: 1
      max_residues: 1000 # filter out T1044 in CASP14

model:
  sampler:
    num_timesteps: 500
    t_start: 1e-4
    tau: 0.01
    log_timesteps: True
    w_cutoff: 0.99

  processor:
    inference_multiplicity: 1