Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Fix typo in admet experiments #236

Merged
merged 1 commit into from
Nov 5, 2024
Merged

Fix typo in admet experiments #236

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 4 additions & 4 deletions config/datasets/admet/toxisity_mouse_oral_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
Expand All @@ -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
8 changes: 4 additions & 4 deletions config/datasets/admet/toxisity_rabbit_skin_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
Expand All @@ -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
8 changes: 4 additions & 4 deletions config/datasets/admet/toxisity_rat_intravenous_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
Expand All @@ -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
8 changes: 4 additions & 4 deletions config/datasets/admet/toxisity_rat_oral_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
Expand All @@ -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
8 changes: 4 additions & 4 deletions config/datasets/admet/toxisity_rat_skin_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
Expand All @@ -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
4 changes: 2 additions & 2 deletions config/experiments/regression/GR_221024_catboost_toxisity_mouse_oral_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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}
4 changes: 2 additions & 2 deletions config/experiments/regression/GR_221024_catboost_toxisity_rabbit_skin_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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}
4 changes: 2 additions & 2 deletions config/experiments/regression/GR_221024_catboost_toxisity_rat_intravenous_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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}
4 changes: 2 additions & 2 deletions config/experiments/regression/GR_221024_catboost_toxisity_rat_oral_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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}
4 changes: 2 additions & 2 deletions config/experiments/regression/GR_221024_catboost_toxisity_rat_skin_ld50.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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}
2 changes: 1 addition & 1 deletion examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_mouse_oral_ld50/train_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_mouse_oral_ld50/train_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rabbit_skin_ld50/train_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rabbit_skin_ld50/train_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_intravenous_ld50/train_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_intravenous_ld50/train_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_oral_ld50/train_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_oral_ld50/train_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_skin_ld50/train_catboost.bat
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_skin_ld50/train_catboost.sh
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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
Loading