experiments/lincs_rdkit_hparam/README.md

This experiment runs in 2 steps:

1. We run a (large) hyperparameter sweep using chemCPA with RDKit embeddings. We use the results to pick good hyperparameters for the autoencoder and the adversarial predictors. See config_lincs_rdkit_hparam_sweep.yaml.
2. We run a (small) hyperparameter sweep using chemCPA with all other embeddings. We sweep just over the embedding-related hparams (drug encoder, drug doser), while fixing the AE & ADV related hparams as selected through (1). See config_lincs_all_embeddings_hparam_sweep.yaml.