[992277]: / examples / IC50 / paccmann_v2_params.json

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{
"drug_sensitivity_min_max": true,
"augment_smiles": true,
"smiles_start_stop_token": true,
"number_of_genes": 2128,
"smiles_padding_length": 512,
"stacked_dense_hidden_sizes": [
1024,
512
],
"activation_fn": "relu",
"dropout": 0.5,
"batch_norm": true,
"filters": [
64,
64,
64
],
"molecule_heads": [
4,
4,
4,
4
],
"gene_heads": [
2,
2,
2,
2
],
"smiles_embedding_size": 16,
"kernel_sizes": [
[
3,
16
],
[
5,
16
],
[
11,
16
]
],
"smiles_attention_size": 64,
"gene_attention_size": 1,
"embed_scale_grad": false,
"final_activation": true,
"batch_size": 256,
"lr": 0.01,
"optimizer": "adam",
"loss_fn": "mse",
"epochs": 10,
"save_model": 25,
"dataset_device": "cpu"
}