rowan-python 2.1.14__tar.gz → 2.1.15__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {rowan_python-2.1.14 → rowan_python-2.1.15}/PKG-INFO +2 -2
- {rowan_python-2.1.14 → rowan_python-2.1.15}/pixi.lock +28 -24
- {rowan_python-2.1.14 → rowan_python-2.1.15}/pyproject.toml +2 -2
- {rowan_python-2.1.14 → rowan_python-2.1.15}/.envrc +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/.github/workflows/build-and-deploy-docs.yml +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/.github/workflows/python-publish.yml +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/.github/workflows/test.yml +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/.gitignore +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/.pre-commit-config.yaml +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/LICENSE +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/README.md +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/docs/images/deciduous-tree-favicon.png +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/docs/index.md +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/docs/rowan_rdkit.md +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/docs/stylesheets/colors.css +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/PROTAC_solubility.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/admet.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/analogue_docking.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/aqueous_solubility.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/basic_calculation.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/basic_calculation_from_json.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/basic_calculation_with_constraint.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/basic_calculation_with_solvent.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/batch_docking.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/bde.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/boltz_paired_msa.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/boltz_single_msa.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/chai_paired_msa.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/chai_single_msa.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/cofolding_screen.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/colabfold_paired_msa.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/colabfold_single_msa.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/conformer_dependent_redox.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/conformers.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/data/1iep_receptorH.pdb +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/data/citalopram_1iep.xyz +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/data/workflow_example.json +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/dcd_download.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/docking_screen.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/double_ended_ts_search.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/fukui_index.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/ion_mobility.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/irc.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/macropka.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/membrane_permeability.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/multistage_opt.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/nmr.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/optimization.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/pdb_download.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/phenol_pka.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/pka.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/pose_analysis_md.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/protein_cofolding.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/protein_md.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/redox_potential.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/scan.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/strain.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/tautomer.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/examples/template.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/mkdocs.yml +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/__init__.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/constants.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/folder.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/project.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/protein.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/py.typed +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/rowan_rdkit/__init__.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/rowan_rdkit/chem_utils.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/user.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/utils.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/rowan/workflow.py +0 -0
- {rowan_python-2.1.14 → rowan_python-2.1.15}/tests/test_macropka_loop.py +0 -0
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Name: rowan-python
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Version: 2.1.
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Version: 2.1.15
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Summary: Rowan Python Library
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Project-URL: Homepage, https://github.com/rowansci/rowan-client
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Project-URL: Bug Tracker, https://github.com/rowansci/rowan-client/issues
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# Rowan Python Library
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