2020-07-31 16:53:03 +01:00
|
|
|
{
|
|
|
|
|
"exp_name": "LSTM_Chem",
|
2020-09-24 11:41:25 +01:00
|
|
|
"data_filename": "./datasets/1500S_SMILES.txt",
|
2020-07-31 16:53:03 +01:00
|
|
|
"data_length": 0,
|
|
|
|
|
"units": 256,
|
2020-09-24 11:41:25 +01:00
|
|
|
"num_epochs": 1,
|
2020-07-31 16:53:03 +01:00
|
|
|
"optimizer": "adam",
|
|
|
|
|
"seed": 71,
|
2020-08-01 11:04:22 +01:00
|
|
|
"batch_size": 256,
|
2020-07-31 16:53:03 +01:00
|
|
|
"validation_split": 0.1,
|
|
|
|
|
"verbose_training": true,
|
|
|
|
|
"checkpoint_monitor": "val_loss",
|
|
|
|
|
"checkpoint_mode": "min",
|
|
|
|
|
"checkpoint_save_best_only": false,
|
|
|
|
|
"checkpoint_save_weights_only": true,
|
|
|
|
|
"checkpoint_verbose": 1,
|
|
|
|
|
"tensorboard_write_graph": true,
|
|
|
|
|
"sampling_temp": 0.75,
|
|
|
|
|
"smiles_max_length": 128,
|
|
|
|
|
"finetune_epochs": 12,
|
|
|
|
|
"finetune_batch_size": 1,
|
|
|
|
|
"finetune_data_filename": "./datasets/protease_inhibitors_for_fine-tune.txt",
|
2020-07-31 17:49:38 +01:00
|
|
|
"config_file": "app/prod/config.json",
|
2020-09-24 11:41:25 +01:00
|
|
|
"exp_dir": "experiments/2020-09-24/LSTM_Chem",
|
|
|
|
|
"tensorboard_log_dir": "experiments/2020-09-24/LSTM_Chem/logs/",
|
|
|
|
|
"checkpoint_dir": "experiments/2020-09-24/LSTM_Chem/checkpoints/",
|
|
|
|
|
"train_smi_max_len": 1429,
|
2020-07-31 17:49:38 +01:00
|
|
|
"model_arch_filename": "app/prod/model_arch.json",
|
2020-09-24 11:41:25 +01:00
|
|
|
"model_weight_filename": "app/prod/checkpoints/LSTM_Chem-01-0.03.hdf5"
|
|
|
|
|
}
|
