From b8b675986289e20712366b4c141241c04d378e44 Mon Sep 17 00:00:00 2001 From: Jannis Born Date: Fri, 11 Jul 2025 10:06:31 +0200 Subject: [PATCH 1/2] Fix the tutorial --- requirements.txt | 8 ++++---- scripts/flexible_training.py | 8 ++++---- 2 files changed, 8 insertions(+), 8 deletions(-) diff --git a/requirements.txt b/requirements.txt index 431c6e1..84f550e 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,13 +1,13 @@ -pytoda==1.1.2 +pytoda>=1.1.5 paccmann_predictor @ git+https://github.com/PaccMann/paccmann_predictor@0.0.4 torch>=1.4 numpy>=1.16.1 scipy>=1.3.1 -python-Levenshtein==0.12.0 +python-Levenshtein>=0.27.0 pandas scikit-learn>=0.22.2 seaborn>=0.9.0 matplotlib>=3.1.1 -rdkit-pypi +rdkit numba>=0.42 -biopython==1.78 \ No newline at end of file +biopython==1.78 diff --git a/scripts/flexible_training.py b/scripts/flexible_training.py index 6f829fd..b4ecbea 100644 --- a/scripts/flexible_training.py +++ b/scripts/flexible_training.py @@ -183,8 +183,8 @@ def main( test_loader = torch.utils.data.DataLoader( dataset=test_dataset, batch_size=params['batch_size'], - shuffle=True, - drop_last=True, + shuffle=False, + drop_last=False, num_workers=params.get('num_workers', 0) ) params.update({ @@ -297,8 +297,8 @@ def main( test_loader = torch.utils.data.DataLoader( dataset=test_dataset, batch_size=params['batch_size'], - shuffle=True, - drop_last=True, + shuffle=False, + drop_last=False, num_workers=params.get('num_workers', 0) ) From bc16fe998b98c1b76ce8b92ea44713f26a74296b Mon Sep 17 00:00:00 2001 From: Jannis Born Date: Fri, 11 Jul 2025 10:09:16 +0200 Subject: [PATCH 2/2] ci: bump python version --- .github/workflows/python-package.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml index aa05785..dcf1375 100644 --- a/.github/workflows/python-package.yml +++ b/.github/workflows/python-package.yml @@ -15,7 +15,7 @@ jobs: strategy: fail-fast: false matrix: - python-version: [3.7, 3.8] + python-version: [3.9] steps: - uses: actions/checkout@v2