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Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.

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Bumps [codecov/codecov-action](https://github.com/codecov/codecov-action) from 3.1.4 to 4.4.1. Release notes Sourced from codecov/codecov-action's releases. v4.4.1 What's Changed build(deps-dev): bump @​typescript-eslint/eslint-plugin from 7.8.0 to 7.9.0 by @​dependabot in codecov/codecov-action#1427 fix: prevent xlarge from...

dependencies
github_actions

Bumps [requests](https://github.com/psf/requests) from 2.31.0 to 2.32.0. Release notes Sourced from requests's releases. v2.32.0 2.32.0 (2024-05-20) 🐍 PYCON US 2024 EDITION 🐍 Security Fixed an issue where setting verify=False on the...

dependencies
python

Bumps [sphinx-click](https://github.com/click-contrib/sphinx-click) from 5.1.0 to 6.0.0. Commits 7f29172 FIX Format string defaults correctly 34470b6 Remove errant prints f4ffef0 Drop support for click 7.x, Sphinx < 5.x f0bf6e9 readthedocs: Use dirhtml...

dependencies
python

Bumps [virtualenv](https://github.com/pypa/virtualenv) from 20.15.1 to 20.26.2. Release notes Sourced from virtualenv's releases. 20.26.0 What's Changed release 20.25.3 by @​gaborbernat in pypa/virtualenv#2704 Fixed a case when template variable is WindowsPath by...

dependencies
python

Bumps [poetry](https://github.com/python-poetry/poetry) from 1.3.2 to 1.8.3. Release notes Sourced from poetry's releases. 1.8.3 No release notes provided. 1.8.2 Fixed Harden lazy-wheel error handling if the index server is behaving badly...

dependencies
python

Bumps [jinja2](https://github.com/pallets/jinja) from 3.1.3 to 3.1.4. Release notes Sourced from jinja2's releases. 3.1.4 This is the Jinja 3.1.4 security release, which fixes security issues and bugs but does not otherwise...

dependencies
python

Bumps [coverage](https://github.com/nedbat/coveragepy) from 7.4.1 to 7.5.1. Changelog Sourced from coverage's changelog. Version 7.5.1 — 2024-05-04 Fix: a pragma comment on the continuation lines of a multi-line statement now excludes the...

dependencies
python

Bumps [tqdm](https://github.com/tqdm/tqdm) from 4.66.1 to 4.66.3. Release notes Sourced from tqdm's releases. tqdm v4.66.3 stable cli: eval safety (fixes CVE-2024-34062, GHSA-g7vv-2v7x-gj9p) tqdm v4.66.2 stable pandas: add DataFrame.progress_map (#1549) notebook: fix...

dependencies
python

Bumps [rdkit](https://github.com/kuelumbus/rdkit-pypi) from 2023.3.3 to 2023.9.6. Commits See full diff in compare view [![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=rdkit&package-manager=pip&previous-version=2023.3.3&new-version=2023.9.6)](https://docs.github.com/en/github/managing-security-vulnerabilities/about-dependabot-security-updates#about-compatibility-scores) Dependabot will resolve any conflicts with this PR as long as you don't alter...

dependencies
python

Bumps [mypy](https://github.com/python/mypy) from 1.8.0 to 1.10.0. Changelog Sourced from mypy's changelog. Mypy Release Notes Next release Mypy 1.10 We’ve just uploaded mypy 1.10 to the Python Package Index (PyPI). Mypy...

dependencies
python