# Checkpoint
#ckpt_file: ./checkpoints_laproteina/AE1_ucond_512.ckpt
ckpt_file:  ${oc.env:ONESCIENCE_DATASETS_DIR}/la-proteina/checkpoints_laproteina/AE1_ucond_512.ckpt
# Job management
ncpus_: 24
seed: 5

# Which data to test autoencoder on, and how many structures
dataset: pdb
n_structs: 1000
bs: 20

# Stuff to compute
metrics:
  bb_rmsd: false
  all_atom_rmsd: true
  seq_rec_rate: true
  seq_cross_entropy: false
  kl_latent_dist: true
  std_latent_dist: false

plot:
  pca_latents: false
  pca_latents_per_residue_type: true