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orbeckst merged 1 commit into from
Jun 23, 2026
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Refresh ProLIF metadata #385

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12 changes: 6 additions & 6 deletions mdakits/prolif/metadata.yaml
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Expand Up @@ -4,8 +4,7 @@ authors:
- Cédric Bouysset
maintainers:
- cbouy
description:
Interaction Fingerprints for protein-ligand complexes and more
description: Interaction Fingerprints for protein-ligand complexes and more
keywords:
- drug-design
- cheminformatics
Expand All @@ -20,17 +19,18 @@ install:
- mamba install -c conda-forge prolif
src_install:
- pip install rdkit
- pip install "prolif[dev] @ git+https://github.com/chemosim-lab/ProLIF@master"
python_requires: ">=3.8"
- pip install git+https://github.com/chemosim-lab/ProLIF@master
python_requires: ">=3.10"
mdanalysis_requires: ">=2.2.0"
run_tests:
- mamba install ipython py3Dmol "matplotlib>=3.5"
- git clone latest
- pytest -v ./tests
test_dependencies:
- mamba install pytest
- mamba install pytest ipython py3Dmol "matplotlib>=3.5"
project_org: chemosim-lab
development_status: Production/Stable
publications:
- https://doi.org/10.1186/s13321-021-00548-6
- https://zenodo.org/record/7332369
community_home: https://github.com/chemosim-lab/ProLIF/discussions
changelog: https://github.com/chemosim-lab/ProLIF/blob/master/CHANGELOG.md