config/config.yaml

model:
  name: OpenFold
  package_path: ../model/openfold
  base_dependency: OneScience

runtime:
  pythonpath: ../model
  onescience_root_env: ONESCIENCE_ROOT
  default_config_preset: model_1_ptm
  device: cuda:0

train:
  data_dir: ../data/mmcif
  alignment_dir: ../data/alignments
  template_mmcif_dir: ../data/templates/mmcif
  output_dir: ../outputs/train
  checkpoint_dir: ../weight
  deepspeed_config: ./deepspeed_config.json

inference:
  fasta_dir: ../data/fasta
  template_mmcif_dir: ../data/templates/mmcif
  precomputed_alignment_dir: ../data/alignments
  output_dir: ../outputs/inference
  checkpoint_path: ../weight/openfold.pt