Update OptimizationResultCollection.create_basic_dataset to preserve molecule IDs
#1097
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| name: lint | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| jobs: | |
| build: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.10' | |
| - name: Install the package | |
| run: python -m pip install . | |
| - name: Install isort / black | |
| run: pip install isort black | |
| - name: Run isort | |
| run: isort --check-only openff | |
| - name: Run black | |
| run: black openff --check |