config_contrastive.yaml

# main config for contrastive pretraining

defaults:
  # data
  - datamodule: contrastive/schneider.yaml
  - transform1: subgraph.yaml
  - transform2: transform_or_identity.yaml

  # model
  - model/encoder: encoder.yaml
  - model/decoder: pretrainer.yaml

  # training
  - optimizer: adams.yaml

  # lightning settings
  - trainer: minimal.yaml
  - logger: wandb.yaml
  - callbacks: contrastive.yaml

# other configs
seed: 35
restore: False # resume a training, with previous run info automatically determined
skip_test: True # skip running model against test set after training finishes
git_repo_path: null # path to the git repo (used to log commit)
# git_repo_path: /Users/mjwen/Applications/rxnrep
return_val_metric_score: False # let the train function return val metric instead of test metric

# path to original working directory
# hydra hijacks working directory by changing it to the current log directory,
# something like: .../outputs/2021-05-03/11-26-06
# It's useful to have original working directory ...
# learn more here: https://hydra.cc/docs/next/tutorials/basic/running_your_app/working_directory
original_working_dir: ${hydra:runtime.cwd}