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Add simple CI #39

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bdd1774
Add simple CI
a-r-j Dec 9, 2022
c2953fc
rm 3.7 support from tests
a-r-j Dec 9, 2022
1e2bce1
Fix updated module path in test & add GPFlow dependency
a-r-j Dec 9, 2022
6a75f72
Merge branch 'main' into CI_CD
a-r-j Dec 9, 2022
f9bcb58
fix merge conflict
a-r-j Jan 23, 2023
b7be3b3
actually resolve merge
a-r-j Jan 23, 2023
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2 changes: 1 addition & 1 deletion .github/workflows/build.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -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
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19 changes: 11 additions & 8 deletions .requirements/base.in
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@@ -1,8 +1,11 @@
numpy
pandas
scikit-learn
rdkit
tqdm
selfies
graphein==1.4.0
gpytorch
numpy
pandas
scikit-learn
rdkit-pypi
torch
gpytorch
pytest
tqdm
selfies
graphein==1.4.0
gpflow
2 changes: 1 addition & 1 deletion tests/test_kernels/test_gnn_kernels/test_pretrained_kernel.py
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Expand Up @@ -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

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