Updating jupyter notebooks

AlexanderKroll · Nov 4, 2022 · e053100 · e053100
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Showing 9 changed files with 13,241 additions and 2,473 deletions.
diff --git a/notebooks_and_code/1_0 - Creating enzyme-substrate database from GOA database.ipynb b/notebooks_and_code/1_0 - Creating enzyme-substrate database from GOA database.ipynb
diff --git a/...e-substrate database from GOA database - Additional datasets (for re-traing ESM-1b).ipynb b/...e-substrate database from GOA database - Additional datasets (for re-traing ESM-1b).ipynb
diff --git a/...de/1_2 - Loading Mou et al datasets.ipynb → ...e/1_2a - Loading Mou et al datasets.ipynb b/...de/1_2 - Loading Mou et al datasets.ipynb → ...e/1_2a - Loading Mou et al datasets.ipynb
diff --git a/...e/1_1 - Loading Yang et al datasets.ipynb → .../1_2b - Loading Yang et al datasets.ipynb b/...e/1_1 - Loading Yang et al datasets.ipynb → .../1_2b - Loading Yang et al datasets.ipynb
diff --git a/notebooks_and_code/2_0 - Training gradient boosting models.ipynb b/notebooks_and_code/2_0 - Training gradient boosting models.ipynb
diff --git a/notebooks_and_code/2_4 - Training additional machine learning models.ipynb b/notebooks_and_code/2_4 - Training additional machine learning models.ipynb
diff --git a/notebooks_and_code/3 Plots and figures.ipynb b/notebooks_and_code/3 Plots and figures.ipynb
diff --git a/notebooks_and_code/4_0 - Training Graph Neural Network (pretraining KM prediction).ipynb b/notebooks_and_code/4_0 - Training Graph Neural Network (pretraining KM prediction).ipynb
diff --git a/...4_0 - Training Graph Neural Network.ipynb → ...4_1 - Training Graph Neural Network.ipynb b/...4_0 - Training Graph Neural Network.ipynb → ...4_1 - Training Graph Neural Network.ipynb