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Fix installation mode
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ale94mleon committed Jan 14, 2024
1 parent 68cef5d commit a3b7f3d
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4 changes: 2 additions & 2 deletions .github/workflows/tests.yml
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Expand Up @@ -51,11 +51,11 @@ jobs:
- name: Get AutoDock-Vina
run: |
python tests/get_vina.py
- name: Install pip dependencies and moldrug on test mode
- name: Install pip dependencies and moldrug on dev mode
run: |
python -m pip install --upgrade pip
python -m pip install flake8
python -m pip install -e .[test]
python -m pip install -e .[dev]
python -m pip install pytest-cov
- name: Lint with flake8
run: |
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2 changes: 1 addition & 1 deletion docs/source/CHANGELOG.md
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Expand Up @@ -9,7 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0

## [3.7.0] - 2024.01.14

## Fixed
### Fixed

- Calculate SA_score with the molecule without explicit hydrogens. Based on: [https://github.com/rdkit/rdkit/discussions/7047](https://github.com/rdkit/rdkit/discussions/7047)

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