config.yaml

# Copyright (c) Meta Platforms, Inc. and affiliates.
#
# This source code is licensed under the MIT license found in the
# LICENSE file in the root directory of this source tree.
#
seed: 0
num_seqs: 1
test_mode: False
allow_missing_residue_coords: True
suppress_AA: 'C'
disable_cuda: False
cuda_device_idx:  # Set to numberic value to override default GPU device used.
task: free_generation  # fixedbb or free_generation
pdb_fn:  # set as empty string when using free_generation
free_generation_length: 100

tasks:
  free_generation:
      num_iter: 170000
      resample_y_every: 3
      resample_y_temp: 1
      stage_fixedbb_args: ${tasks.fixedbb}


  fixedbb:
      num_iter: 170000

      # Accept/Reject
      accept_reject:
          energy_cfg:
              struct_w: 3
              LM_w: 2
              ngram_w: 1
              ngram_orders: [1,2,3]
          temperature:
              scheduler: StepLR
              step_size: 10000
              gamma: 0.5
              initial: 8



# Hydra config
hydra:
  job_logging:
    formatters:
      colorlog:
        datefmt: "%m-%d %H:%M:%S"
    handlers:
      file:
        class: logging.FileHandler
        mode: w
        filename: logging.l
      console:
        class: logging.StreamHandler
        stream: ext://sys.stdout

  hydra_logging:
    handlers:
      console:
        class: logging.StreamHandler
        stream: ext://sys.stdout