Training solubility ensemble model

bayes_ensemble_grad.sh

# Train a logSolubility model
python train.py \
    --data_path data/delaney.csv \
    --dataset_type regression \
    --save_dir delaney_checkpoints \
    --ensemble 3 --num_folds 10 --epochs 50

# Get bayes ensemble grad results
python interpret_local.py \
    --test_path data/delaney_subset.csv \
    --checkpoint_dir delaney_checkpoints \
    --preds_path delaney_preds/delaney_preds.csv \
    --bayes_path delaney_preds