Fix typo in admet experiments (#236)

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

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

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

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

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

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}

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}

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}

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}

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}

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
+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

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
+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

examples/admet/toxisity_mouse_oral_ld50/train_catboost.bat

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_mouse_oral_ld50

examples/admet/toxisity_mouse_oral_ld50/train_catboost.sh

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_mouse_oral_ld50

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
+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

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
+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

examples/admet/toxisity_rabbit_skin_ld50/train_catboost.bat

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rabbit_skin_ld50

examples/admet/toxisity_rabbit_skin_ld50/train_catboost.sh

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rabbit_skin_ld50

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
+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

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
+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

examples/admet/toxisity_rat_intravenous_ld50/train_catboost.bat

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rat_intravenous_ld50

examples/admet/toxisity_rat_intravenous_ld50/train_catboost.sh

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rat_intravenous_ld50

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
+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

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
+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

examples/admet/toxisity_rat_oral_ld50/train_catboost.bat

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rat_oral_ld50

examples/admet/toxisity_rat_oral_ld50/train_catboost.sh

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rat_oral_ld50

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
+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

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
+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

examples/admet/toxisity_rat_skin_ld50/train_catboost.bat

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rat_skin_ld50

examples/admet/toxisity_rat_skin_ld50/train_catboost.sh

@@ -1 +1 @@
-python train.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50
+python train.py experiments=regression/GR_221024_catboost_toxisity_rat_skin_ld50