Ark-ADMET / ames /match.json
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Add 22 endpoint CatBoost checkpoints
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{
"endpoint": "ames",
"status": "match",
"atol": 1e-05,
"spec": {
"endpoint": "ames",
"task": "classification",
"log_scale": false,
"tree": {
"depth": 8,
"iterations": 2000,
"learning_rate": 0.03,
"l2_leaf_reg": 10.0
},
"blend_weight": 0.2,
"scale_pos_weight": 1.0,
"n_3d": 0,
"gin": false,
"minimol_concat": true,
"tdc_name": "AMES",
"metric": "roc-auc",
"n_fingerprint": 2563,
"gin_dim": 0,
"minimol_dim": 512,
"n_features": 3075,
"seeds": [
1,
2,
3,
4,
5
],
"aggregate": "mean"
},
"seeds": [
{
"seed": 1,
"n_train": 5093,
"n_valid_unused": 728,
"catboost_max_abs": 0.0,
"reported_max_abs": 0.0,
"reload_max_abs": 0.0
},
{
"seed": 2,
"n_train": 4553,
"n_valid_unused": 1268,
"catboost_max_abs": 0.0,
"reported_max_abs": 0.0,
"reload_max_abs": 0.0
},
{
"seed": 3,
"n_train": 5093,
"n_valid_unused": 728,
"catboost_max_abs": 0.0,
"reported_max_abs": 0.0,
"reload_max_abs": 0.0
},
{
"seed": 4,
"n_train": 5093,
"n_valid_unused": 728,
"catboost_max_abs": 0.0,
"reported_max_abs": 0.0,
"reload_max_abs": 0.0
},
{
"seed": 5,
"n_train": 5093,
"n_valid_unused": 728,
"catboost_max_abs": 0.0,
"reported_max_abs": 0.0,
"reload_max_abs": 0.0
}
]
}