diff --git a/notebooks/downstream_adaptation.ipynb b/notebooks/downstream_adaptation.ipynb index c2fc509..8ea5431 100644 --- a/notebooks/downstream_adaptation.ipynb +++ b/notebooks/downstream_adaptation.ipynb @@ -8,7 +8,7 @@ "\n", "This example shows how MiniMol can featurise small molecules that will then serve as an input to another model trained on a small downstream dataset from TDC ADMET. This allows to transfer the knowledge from the pre-trained MiniMol to another task. \n", "\n", - "Before we start, let's make sure that the TDC package is installed in the environment. It takes a while, that's why we don't include it in the dependencies." + "Before we start, let's make sure that the TDC package is installed in the environment. The package is quite large, and we assume that a user wouldn't necesserily need it in their work, that's why we don't include it in the dependencies." ] }, { @@ -17,7 +17,7 @@ "metadata": {}, "outputs": [], "source": [ - "# %pip install PyTDC" + "%pip install PyTDC" ] }, { @@ -540,7 +540,7 @@ "\n", "- Rather than choosing the model at the last epoch, we will use best validation loss to decide which one to choose.\n", "\n", - "Below we implement a method that create a new training and validation dataloader for each fold, and also a method for ensemble-based evaluationm, where probabiltiies for each predition are averaged across all models in the ensemble." + "We already implemented a `dataloader_factory()` method that creates a new training and validation dataloader for each fold. Now, we will also build a method for ensemble-based evaluation, that takes a list of models and where probabiltiies for each sample from all of them are averaged, creating an ensemble. " ] }, { diff --git a/setup.py b/setup.py index f1d4738..1a3058b 100644 --- a/setup.py +++ b/setup.py @@ -6,7 +6,7 @@ setup( name='minimol', - version='1.1', + version='1.2', packages=find_packages(), include_package_data=True, package_data={