[203523]: / examples / affinity / affinity.json

Download this file

18 lines (18 with data), 410 Bytes

 1
 2
 3
 4
 5
 6
 7
 8
 9
10
11
12
13
14
15
16
17
18
{
"augment_smiles": false,
"smiles_canonical": false,
"ligand_start_stop_token": true,
"receptor_start_stop_token": true,
"ligand_padding_length": 1024,
"receptor_padding_length": 8192,
"dense_hidden_sizes": [
20
],
"activation_fn": "relu",
"dropout": 0.3,
"batch_norm": true,
"batch_size": 512,
"lr": 0.001,
"epochs": 200,
"save_model": 25
}