diff --git a/config/datasets/admet/toxisity_mouse_oral_ld50.yaml b/config/datasets/admet/toxisity_mouse_oral_ld50.yaml index 811d06f5..fd21e7e7 100644 --- a/config/datasets/admet/toxisity_mouse_oral_ld50.yaml +++ b/config/datasets/admet/toxisity_mouse_oral_ld50.yaml @@ -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 diff --git a/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml b/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml index 8e27c8f0..3eb3eb3e 100644 --- a/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml +++ b/config/datasets/admet/toxisity_rabbit_skin_ld50.yaml @@ -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 diff --git a/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml b/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml index 921c4914..7a2347c5 100644 --- a/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml +++ b/config/datasets/admet/toxisity_rat_intravenous_ld50.yaml @@ -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 diff --git a/config/datasets/admet/toxisity_rat_oral_ld50.yaml b/config/datasets/admet/toxisity_rat_oral_ld50.yaml index 97f02b8b..f2baf646 100644 --- a/config/datasets/admet/toxisity_rat_oral_ld50.yaml +++ b/config/datasets/admet/toxisity_rat_oral_ld50.yaml @@ -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 diff --git a/config/datasets/admet/toxisity_rat_skin_ld50.yaml b/config/datasets/admet/toxisity_rat_skin_ld50.yaml index b0ba5992..ce86c442 100644 --- a/config/datasets/admet/toxisity_rat_skin_ld50.yaml +++ b/config/datasets/admet/toxisity_rat_skin_ld50.yaml @@ -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 diff --git a/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat b/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.bat index a6bfe80d..af019ad6 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_toxicity_mouse_oral_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh b/examples/admet/toxisity_mouse_oral_ld50/infer_catboost.sh index a6bfe80d..af019ad6 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_toxicity_mouse_oral_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat b/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.bat index 36d7d9f9..19b783b2 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_toxicity_rabbit_skin_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh b/examples/admet/toxisity_rabbit_skin_ld50/infer_catboost.sh index 36d7d9f9..19b783b2 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_toxicity_rabbit_skin_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat b/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.bat index 80f97b27..b204d9fe 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_toxicity_rat_intravenous_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh b/examples/admet/toxisity_rat_intravenous_ld50/infer_catboost.sh index 80f97b27..b204d9fe 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_toxicity_rat_intravenous_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat b/examples/admet/toxisity_rat_oral_ld50/infer_catboost.bat index 63761dec..177e38ca 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_toxicity_rat_oral_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh b/examples/admet/toxisity_rat_oral_ld50/infer_catboost.sh index 63761dec..177e38ca 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_toxicity_rat_oral_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat b/examples/admet/toxisity_rat_skin_ld50/infer_catboost.bat index 54505101..3cbccd14 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_toxicity_rat_skin_ld50.pickle \ No newline at end of file +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 diff --git a/examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh b/examples/admet/toxisity_rat_skin_ld50/infer_catboost.sh index 54505101..3cbccd14 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_toxicity_rat_skin_ld50.pickle \ No newline at end of file +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