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add model params
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YojanaGadiya committed Jun 24, 2024
1 parent 69d6bfe commit e02d1e5
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Showing 9 changed files with 50 additions and 0 deletions.
5 changes: 5 additions & 0 deletions models/chem_phys_xgboost_params.json
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{
"colsample_bytree": 0.5899053652391966,
"learning_rate": 0.09931771248268591,
"max_depth": 10
}
6 changes: 6 additions & 0 deletions models/ecfp4_rf_params.json
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{
"max_depth": 70,
"min_samples_leaf": 1,
"min_samples_split": 6,
"n_estimators": 500
}
6 changes: 6 additions & 0 deletions models/erg_rf_params.json
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{
"max_depth": 50,
"min_samples_leaf": 1,
"min_samples_split": 6,
"n_estimators": 500
}
5 changes: 5 additions & 0 deletions models/erg_xgboost_params.json
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{
"colsample_bytree": 0.33818019645488173,
"learning_rate": 0.09179180804085318,
"max_depth": 10
}
6 changes: 6 additions & 0 deletions models/maccs_rf_params.json
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{
"max_depth": 90,
"min_samples_leaf": 1,
"min_samples_split": 4,
"n_estimators": 100
}
5 changes: 5 additions & 0 deletions models/maccs_xgboost_params.json
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{
"colsample_bytree": 0.6703407860866035,
"learning_rate": 0.04044784075626242,
"max_depth": 10
}
6 changes: 6 additions & 0 deletions models/mhfp6_rf_params.json
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{
"max_depth": 110,
"min_samples_leaf": 1,
"min_samples_split": 4,
"n_estimators": 400
}
5 changes: 5 additions & 0 deletions models/mhfp6_xgboost_params.json
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{
"colsample_bytree": 0.20449024647527414,
"learning_rate": 0.02711577028203216,
"max_depth": 10
}
6 changes: 6 additions & 0 deletions models/rdkit_rf_params.json
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{
"max_depth": 110,
"min_samples_leaf": 1,
"min_samples_split": 2,
"n_estimators": 500
}

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