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fix dataset and model path
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@Irlirion
Irlirion committed Oct 25, 2024
1 parent 48210c3 commit c1dd122
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Showing 15 changed files with 25 additions and 25 deletions.
6 changes: 3 additions & 3 deletions config/datasets/admet/toxisity_mouse_oral_ld50.yaml
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Expand Up @@ -10,13 +10,13 @@ date_time: 22.10.2024
_target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule

train:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_mouse_oral_ld50/train.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_mouse_oral_ld50/train.zip
target: ./data/toxicity_mouse_oral_ld50/train
test:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_mouse_oral_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_mouse_oral_ld50/test.zip
target: ./data/toxicity_mouse_oral_ld50/test
infer:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_mouse_oral_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_mouse_oral_ld50/test.zip
target: ./data/toxicity_mouse_oral_ld50/test
smiles_col: smiles
target_col: Toxicity Value
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6 changes: 3 additions & 3 deletions config/datasets/admet/toxisity_rabbit_skin_ld50.yaml
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Expand Up @@ -10,13 +10,13 @@ date_time: 22.10.2024
_target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule

train:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rabbit_skin_ld50/train.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rabbit_skin_ld50/train.zip
target: ./data/toxicity_rabbit_skin_ld50/train
test:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rabbit_skin_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rabbit_skin_ld50/test.zip
target: ./data/toxicity_rabbit_skin_ld50/test
infer:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rabbit_skin_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rabbit_skin_ld50/test.zip
target: ./data/toxicity_rabbit_skin_ld50/test
smiles_col: smiles
target_col: Toxicity Value
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6 changes: 3 additions & 3 deletions config/datasets/admet/toxisity_rat_intravenous_ld50.yaml
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Expand Up @@ -10,13 +10,13 @@ date_time: 22.10.2024
_target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule

train:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_intravenous_ld50/train.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_intravenous_ld50/train.zip
target: ./data/toxicity_rat_intravenous_ld50/train
test:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_intravenous_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_intravenous_ld50/test.zip
target: ./data/toxicity_rat_intravenous_ld50/test
infer:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_intravenous_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_intravenous_ld50/test.zip
target: ./data/toxicity_rat_intravenous_ld50/test
smiles_col: smiles
target_col: Toxicity Value
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6 changes: 3 additions & 3 deletions config/datasets/admet/toxisity_rat_oral_ld50.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -10,13 +10,13 @@ date_time: 22.10.2024
_target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule

train:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_oral_ld50/train.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_oral_ld50/train.zip
target: ./data/toxicity_rat_oral_ld50/train
test:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_oral_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_oral_ld50/test.zip
target: ./data/toxicity_rat_oral_ld50/test
infer:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_oral_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_oral_ld50/test.zip
target: ./data/toxicity_rat_oral_ld50/test
smiles_col: smiles
target_col: Toxicity Value
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6 changes: 3 additions & 3 deletions config/datasets/admet/toxisity_rat_skin_ld50.yaml
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Expand Up @@ -9,13 +9,13 @@ date_time: 18.06.2019
_target_: innofw.core.datamodules.pandas_datamodules.QsarDataModule

train:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_skin_ld50/train.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_skin_ld50/train.zip
target: ./data/toxicity_rat_skin_ld50/train
test:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_skin_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_skin_ld50/test.zip
target: ./data/toxicity_rat_skin_ld50/test
infer:
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxicity_rat_skin_ld50/test.zip
source: https://api.blackhole.ai.innopolis.university/public-datasets/toxisity_rat_skin_ld50/test.zip
target: ./data/toxicity_rat_skin_ld50/test
smiles_col: smiles
target_col: Toxicity Value
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2 changes: 1 addition & 1 deletion examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat
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python infer.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_mouse_oral_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh
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python infer.py experiments=regression/GR_221024_catboost_toxicity_mouse_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_mouse_oral_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat
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python infer.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rabbit_skin_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh
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python infer.py experiments=regression/GR_221024_catboost_toxicity_rabbit_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rabbit_skin_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat
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python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rat_intravenous_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh
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python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_intravenous_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rat_intravenous_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat
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python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rat_oral_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh
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python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_oral_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rat_oral_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat
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@@ -1 +1 @@
python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rat_skin_ld50.pickle
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
2 changes: 1 addition & 1 deletion examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh
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@@ -1 +1 @@
python infer.py experiments=regression/GR_221024_catboost_toxicity_rat_skin_ld50 ckpt_path=https://api.blackhole.ai.innopolis.university/pretrained/catboost_toxicity_rat_skin_ld50.pickle
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

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