diff --git a/.github/workflows/build.yaml b/.github/workflows/build.yaml index a53b6f3..150a58b 100644 --- a/.github/workflows/build.yaml +++ b/.github/workflows/build.yaml @@ -20,7 +20,7 @@ jobs: runs-on: ubuntu-18.04 strategy: matrix: - python-version: [3.7, 3.8, 3.9, 3.11] + python-version: [3.8, 3.9, 3.11] steps: - name: Checkout repository uses: actions/checkout@v2 diff --git a/.requirements/base.in b/.requirements/base.in index 7e3c512..2b4a265 100644 --- a/.requirements/base.in +++ b/.requirements/base.in @@ -1,8 +1,11 @@ -numpy -pandas -scikit-learn -rdkit -tqdm -selfies -graphein==1.4.0 -gpytorch \ No newline at end of file +numpy +pandas +scikit-learn +rdkit-pypi +torch +gpytorch +pytest +tqdm +selfies +graphein==1.4.0 +gpflow diff --git a/tests/test_kernels/test_gnn_kernels/test_pretrained_kernel.py b/tests/test_kernels/test_gnn_kernels/test_pretrained_kernel.py index ee0cae2..8a39d5d 100644 --- a/tests/test_kernels/test_gnn_kernels/test_pretrained_kernel.py +++ b/tests/test_kernels/test_gnn_kernels/test_pretrained_kernel.py @@ -10,7 +10,7 @@ import pytest import torch from gauche.dataloader import DataLoaderMP -from gauche.kernels.gnn_kernels.hu_iclr_2020 import GNN, mol_to_pyg +from gauche.kernels.gnn_kernels.pretrained_kernel import GNN, mol_to_pyg from rdkit.Chem import MolFromSmiles from torch_geometric.data import Batch