[Global_Params]
model_name = "test_improve"

[Preprocess]
train_split_file = "GDSCv1_split_0_train.txt"
val_split_file = "GDSCv1_split_0_val.txt"
test_split_file = "GDSCv1_split_0_test.txt"
ml_data_outdir = "./ml_data/GDSCv1-GDSCv1/split_0"
data_format = ".pt"
y_data_files = [["response.tsv"]]
x_data_canc_files = [
    ["cancer_copy_number.tsv", ["Gene_Symbol"]],
    ["cancer_discretized_copy_number.tsv", ["Gene_Symbol"]],
    ["cancer_DNA_methylation.tsv", ["Gene_Symbol"]],
    ["cancer_gene_expression.tsv", ["Gene_Symbol"]],
    ["cancer_miRNA_expression.tsv", ["miRNA_ID"]],
    ["cancer_mutation_count.tsv", ["Gene_Symbol"]],
    ["cancer_mutation_long_format.tsv", []],
    ["cancer_mutation.parquet", []],
    ["cancer_RPPA.tsv", ["Antibody"]]]
x_data_drug_files = [
    ["drug_SMILES.tsv"],
    ["drug_ecfp4_nbits512.tsv"],
    ["drug_mordred.tsv"]]

[Train]
train_ml_data_dir = "./ml_data/GDSCv1-GDSCv1/split_0"
val_ml_data_dir = "./ml_data/GDSCv1-GDSCv1/split_0"
model_outdir = "./out_models/GDSCv1/split_0"
model_file_name = "model"
model_file_format = ".pt"
epochs = 150
batch_size = 256
val_batch = 256
loss = "mse"
early_stop_metric = "mse"
patience = 20
ckpt_save_interval = 5
model_arch = "GINConvNet"
log_interval = 20
cuda_name = "cuda:7"

[Infer]
test_ml_data_dir = "./ml_data/GDSCv1-GDSCv1/split_0"
model_dir = "./out_models/GDSCv1/split_0"
infer_outdir = "./out_infer/GDSCv1-GDSCv1/split_0"
test_batch = 256
cuda_name = "cuda:7"
