scripts/smiles_rectify_train.sh

export CUDA_VISIBLE_DEVICES=5,6

python -u ./smiles/rectify_train.py \
  --checkpoint ./smiles/ckpt/SMILESReDi_base.ckpt \
  --gamma 2.0 \
  --epochs 10 \
  --validity_start_epoch 10 \
  --validity_weight_min 0 \
  --validity_weight_max 0 \
  --validity_schedule linear \
  --time_dependent_validity False \
  --learning_rate 1e-4 \
  --weight_decay 1e-5 \
  --model_dim 768 \
  --n_heads 8 \
  --n_layers 8 \
  --checkpoint_dir ./smiles/ckpt