diff --git a/config/datasets/admet/toxisity_mouse_oral_ld50.yaml b/config/datasets/admet/toxisity_mouse_oral_ld50.yaml index fd21e7e7..e2cc4e55 100644 --- a/config/datasets/admet/toxisity_mouse_oral_ld50.yaml +++ b/config/datasets/admet/toxisity_mouse_oral_ld50.yaml @@ -1,7 +1,7 @@ task: - qsar-regression -name: toxicity_mouse_oral_ld50 +name: toxisity_mouse_oral_ld50 description: The dataset contains information on the lethal dose (LD50) values of various chemical substances, tested on mice through oral administration, indicating the dose required to kill 50% of a mouse population under experimental conditions. markup_info: Информация о разметке @@ -11,13 +11,13 @@ _target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule train: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_mouse_oral_ld50/train.zip - target: ./data/toxicity_mouse_oral_ld50/train + target: ./data/toxisity_mouse_oral_ld50/train test: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_mouse_oral_ld50/test.zip - target: ./data/toxicity_mouse_oral_ld50/test + target: ./data/toxisity_mouse_oral_ld50/test infer: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_mouse_oral_ld50/test.zip - target: ./data/toxicity_mouse_oral_ld50/test + target: ./data/toxisity_mouse_oral_ld50/test smiles_col: smiles target_col: Toxicity Value val_size: 0.2 diff --git a/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml b/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml index 3eb3eb3e..c279f24b 100644 --- a/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml +++ b/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml @@ -1,7 +1,7 @@ task: - qsar-regression -name: toxicity_rabbit_skin_ld50 +name: toxisity_rabbit_skin_ld50 description: The dataset provides information on the lethal dose (LD50) values for various chemical substances applied to rabbit skin, indicating the dose required to cause death in 50% of the rabbit population under experimental conditions. markup_info: Информация о разметке @@ -11,13 +11,13 @@ _target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule train: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rabbit_skin_ld50/train.zip - target: ./data/toxicity_rabbit_skin_ld50/train + target: ./data/toxisity_rabbit_skin_ld50/train test: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rabbit_skin_ld50/test.zip - target: ./data/toxicity_rabbit_skin_ld50/test + target: ./data/toxisity_rabbit_skin_ld50/test infer: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rabbit_skin_ld50/test.zip - target: ./data/toxicity_rabbit_skin_ld50/test + target: ./data/toxisity_rabbit_skin_ld50/test smiles_col: smiles target_col: Toxicity Value val_size: 0.2 diff --git a/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml b/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml index 7a2347c5..3e7373cf 100644 --- a/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml +++ b/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml @@ -1,7 +1,7 @@ task: - qsar-regression -name: toxicity_rat_intravenous_ld50 +name: toxisity_rat_intravenous_ld50 description: The dataset contains information on the lethal dose (LD50) values for various chemical substances administered intravenously to rats, indicating the dose required to kill 50% of the rat population under experimental conditions. markup_info: Информация о разметке @@ -11,13 +11,13 @@ _target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule train: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_intravenous_ld50/train.zip - target: ./data/toxicity_rat_intravenous_ld50/train + target: ./data/toxisity_rat_intravenous_ld50/train test: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_intravenous_ld50/test.zip - target: ./data/toxicity_rat_intravenous_ld50/test + target: ./data/toxisity_rat_intravenous_ld50/test infer: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_intravenous_ld50/test.zip - target: ./data/toxicity_rat_intravenous_ld50/test + target: ./data/toxisity_rat_intravenous_ld50/test smiles_col: smiles target_col: Toxicity Value val_size: 0.2 diff --git a/config/datasets/admet/toxisity_rat_oral_ld50.yaml b/config/datasets/admet/toxisity_rat_oral_ld50.yaml index f2baf646..f5f2dcee 100644 --- a/config/datasets/admet/toxisity_rat_oral_ld50.yaml +++ b/config/datasets/admet/toxisity_rat_oral_ld50.yaml @@ -1,7 +1,7 @@ task: - qsar-regression -name: toxicity_rat_oral_ld50 +name: toxisity_rat_oral_ld50 description: The dataset contains information on the lethal dose (LD50) values of various chemical substances, tested on rat through oral administration, indicating the dose required to kill 50% of a rat population under experimental conditions. markup_info: Информация о разметке @@ -11,13 +11,13 @@ _target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule train: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_oral_ld50/train.zip - target: ./data/toxicity_rat_oral_ld50/train + target: ./data/toxisity_rat_oral_ld50/train test: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_oral_ld50/test.zip - target: ./data/toxicity_rat_oral_ld50/test + target: ./data/toxisity_rat_oral_ld50/test infer: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_oral_ld50/test.zip - target: ./data/toxicity_rat_oral_ld50/test + target: ./data/toxisity_rat_oral_ld50/test smiles_col: smiles target_col: Toxicity Value val_size: 0.2 diff --git a/config/datasets/admet/toxisity_rat_skin_ld50.yaml b/config/datasets/admet/toxisity_rat_skin_ld50.yaml index ce86c442..9a5a1928 100644 --- a/config/datasets/admet/toxisity_rat_skin_ld50.yaml +++ b/config/datasets/admet/toxisity_rat_skin_ld50.yaml @@ -1,7 +1,7 @@ task: - qsar-regression -name: toxicity_rat_skin_ld50 +name: toxisity_rat_skin_ld50 description: The dataset provides information on the lethal dose (LD50) values for various chemical substances applied to rat skin, indicating the dose required to cause death in 50% of the rat population under experimental conditions. markup_info: Информация о разметке date_time: 18.06.2019 @@ -10,13 +10,13 @@ _target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule train: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_skin_ld50/train.zip - target: ./data/toxicity_rat_skin_ld50/train + target: ./data/toxisity_rat_skin_ld50/train test: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_skin_ld50/test.zip - target: ./data/toxicity_rat_skin_ld50/test + target: ./data/toxisity_rat_skin_ld50/test infer: source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_skin_ld50/test.zip - target: ./data/toxicity_rat_skin_ld50/test + target: ./data/toxisity_rat_skin_ld50/test smiles_col: smiles target_col: Toxicity Value val_size: 0.2 diff --git a/config/experiments/regression/GR_221024_catboost_toxisity_mouse_oral_ld50.yaml b/config/experiments/regression/GR_221024_catboost_toxisity_mouse_oral_ld50.yaml index d6967e2c..2807f54a 100644 --- a/config/experiments/regression/GR_221024_catboost_toxisity_mouse_oral_ld50.yaml +++ b/config/experiments/regression/GR_221024_catboost_toxisity_mouse_oral_ld50.yaml @@ -1,10 +1,10 @@ # @package _global_ defaults: - override /models: regression/catboost_regression - - override /datasets: admet/toxicity_mouse_oral_ld50 + - override /datasets: admet/toxisity_mouse_oral_ld50 - override /callbacks: regression -project: "toxicity_mouse_oral_ld50" +project: "toxisity_mouse_oral_ld50" task: "qsar-regression" random_seed: 42 # original_work_dir: ${hydra:runtime.cwd} diff --git a/config/experiments/regression/GR_221024_catboost_toxisity_rabbit_skin_ld50.yaml b/config/experiments/regression/GR_221024_catboost_toxisity_rabbit_skin_ld50.yaml index 8e952ec3..b5abb059 100644 --- a/config/experiments/regression/GR_221024_catboost_toxisity_rabbit_skin_ld50.yaml +++ b/config/experiments/regression/GR_221024_catboost_toxisity_rabbit_skin_ld50.yaml @@ -1,10 +1,10 @@ # @package _global_ defaults: - override /models: regression/catboost_regression - - override /datasets: admet/toxicity_rabbit_skin_ld50 + - override /datasets: admet/toxisity_rabbit_skin_ld50 - override /callbacks: regression -project: "toxicity_rabbit_skin_ld50" +project: "toxisity_rabbit_skin_ld50" task: "qsar-regression" random_seed: 42 # original_work_dir: ${hydra:runtime.cwd} diff --git a/config/experiments/regression/GR_221024_catboost_toxisity_rat_intravenous_ld50.yaml b/config/experiments/regression/GR_221024_catboost_toxisity_rat_intravenous_ld50.yaml index 7004b0be..bae1d96e 100644 --- a/config/experiments/regression/GR_221024_catboost_toxisity_rat_intravenous_ld50.yaml +++ b/config/experiments/regression/GR_221024_catboost_toxisity_rat_intravenous_ld50.yaml @@ -1,10 +1,10 @@ # @package _global_ defaults: - override /models: regression/catboost_regression - - override /datasets: admet/toxicity_rat_intravenous_ld50 + - override /datasets: admet/toxisity_rat_intravenous_ld50 - override /callbacks: regression -project: "toxicity_rat_intravenous_ld50" +project: "toxisity_rat_intravenous_ld50" task: "qsar-regression" random_seed: 42 # original_work_dir: ${hydra:runtime.cwd} diff --git a/config/experiments/regression/GR_221024_catboost_toxisity_rat_oral_ld50.yaml b/config/experiments/regression/GR_221024_catboost_toxisity_rat_oral_ld50.yaml index 99792821..2d4ec294 100644 --- a/config/experiments/regression/GR_221024_catboost_toxisity_rat_oral_ld50.yaml +++ b/config/experiments/regression/GR_221024_catboost_toxisity_rat_oral_ld50.yaml @@ -1,10 +1,10 @@ # @package _global_ defaults: - override /models: regression/catboost_regression - - override /datasets: admet/toxicity_rat_oral_ld50 + - override /datasets: admet/toxisity_rat_oral_ld50 - override /callbacks: regression -project: "toxicity_rat_oral_ld50" +project: "toxisity_rat_oral_ld50" task: "qsar-regression" random_seed: 42 # original_work_dir: ${hydra:runtime.cwd} diff --git a/config/experiments/regression/GR_221024_catboost_toxisity_rat_skin_ld50.yaml b/config/experiments/regression/GR_221024_catboost_toxisity_rat_skin_ld50.yaml index 9064ab15..af2ba66a 100644 --- a/config/experiments/regression/GR_221024_catboost_toxisity_rat_skin_ld50.yaml +++ b/config/experiments/regression/GR_221024_catboost_toxisity_rat_skin_ld50.yaml @@ -1,10 +1,10 @@ # @package _global_ defaults: - override /models: regression/catboost_regression - - override /datasets: admet/toxicity_rat_skin_ld50 + - override /datasets: admet/toxisity_rat_skin_ld50 - override /callbacks: regression -project: "toxicity_rat_skin_ld50" +project: "toxisity_rat_skin_ld50" task: "qsar-regression" random_seed: 42 # original_work_dir: ${hydra:runtime.cwd} diff --git a/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat b/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat index af019ad6..68d6b679 100755 --- a/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat +++ b/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_mouse_oral_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_mouse_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_mouse_oral_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh b/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh index af019ad6..68d6b679 100755 --- a/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh +++ b/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_mouse_oral_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_mouse_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_mouse_oral_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_mouse_oral_ld50/train_catboost.bat b/examples/admet/toxisity_mouse_oral_ld50/train_catboost.bat index 10dc6dfa..0c664896 100755 --- a/examples/admet/toxisity_mouse_oral_ld50/train_catboost.bat +++ b/examples/admet/toxisity_mouse_oral_ld50/train_catboost.bat @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_mouse_oral_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_mouse_oral_ld50/train_catboost.sh b/examples/admet/toxisity_mouse_oral_ld50/train_catboost.sh index 10dc6dfa..0c664896 100755 --- a/examples/admet/toxisity_mouse_oral_ld50/train_catboost.sh +++ b/examples/admet/toxisity_mouse_oral_ld50/train_catboost.sh @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_mouse_oral_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat b/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat index 19b783b2..59ba2d85 100755 --- a/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat +++ b/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rabbit_skin_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rabbit_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rabbit_skin_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh b/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh index 19b783b2..59ba2d85 100755 --- a/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh +++ b/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rabbit_skin_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rabbit_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rabbit_skin_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.bat b/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.bat index 94ad1ac0..f05ba42f 100755 --- a/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.bat +++ b/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.bat @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rabbit_skin_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.sh b/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.sh index 94ad1ac0..f05ba42f 100755 --- a/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.sh +++ b/examples/admet/toxisity_rabbit_skin_ld50/train_catboost.sh @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rabbit_skin_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat b/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat index b204d9fe..bc7e2fcd 100755 --- a/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat +++ b/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_intravenous_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rat_intravenous_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_intravenous_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh b/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh index b204d9fe..bc7e2fcd 100755 --- a/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh +++ b/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_intravenous_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rat_intravenous_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_intravenous_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.bat b/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.bat index 743024b8..2487204b 100755 --- a/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.bat +++ b/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.bat @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rat_intravenous_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.sh b/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.sh index 743024b8..2487204b 100755 --- a/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.sh +++ b/examples/admet/toxisity_rat_intravenous_ld50/train_catboost.sh @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rat_intravenous_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat b/examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat index 177e38ca..40139b28 100755 --- a/examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat +++ b/examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_oral_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rat_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_oral_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh b/examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh index 177e38ca..40139b28 100755 --- a/examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh +++ b/examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_oral_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rat_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_oral_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rat_oral_ld50/train_catboost.bat b/examples/admet/toxisity_rat_oral_ld50/train_catboost.bat index 6e2afc4d..167e6624 100755 --- a/examples/admet/toxisity_rat_oral_ld50/train_catboost.bat +++ b/examples/admet/toxisity_rat_oral_ld50/train_catboost.bat @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rat_oral_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rat_oral_ld50/train_catboost.sh b/examples/admet/toxisity_rat_oral_ld50/train_catboost.sh index 6e2afc4d..167e6624 100755 --- a/examples/admet/toxisity_rat_oral_ld50/train_catboost.sh +++ b/examples/admet/toxisity_rat_oral_ld50/train_catboost.sh @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rat_oral_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat b/examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat index 3cbccd14..7266242b 100755 --- a/examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat +++ b/examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_skin_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rat_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_skin_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh b/examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh index 3cbccd14..7266242b 100755 --- a/examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh +++ b/examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh @@ -1 +1 @@ -python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_skin_ld50.pickle \ No newline at end of file +python infer.py experiments=regression/GR_221024_catboost_toxisity_rat_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxisity_rat_skin_ld50.pickle \ No newline at end of file diff --git a/examples/admet/toxisity_rat_skin_ld50/train_catboost.bat b/examples/admet/toxisity_rat_skin_ld50/train_catboost.bat index b8be460f..32e54017 100755 --- a/examples/admet/toxisity_rat_skin_ld50/train_catboost.bat +++ b/examples/admet/toxisity_rat_skin_ld50/train_catboost.bat @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rat_skin_ld50 \ No newline at end of file diff --git a/examples/admet/toxisity_rat_skin_ld50/train_catboost.sh b/examples/admet/toxisity_rat_skin_ld50/train_catboost.sh index b8be460f..32e54017 100755 --- a/examples/admet/toxisity_rat_skin_ld50/train_catboost.sh +++ b/examples/admet/toxisity_rat_skin_ld50/train_catboost.sh @@ -1 +1 @@ -python train.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50 \ No newline at end of file +python train.py experiments=regression/GR_221024_catboost_toxisity_rat_skin_ld50 \ No newline at end of file