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Bump the all group with 17 updates#11
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@dependabot dependabot Bot commented on behalf of github Apr 13, 2026

Updates the requirements on chemprop, lightning, torch, rdkit, pandas, numpy, scipy, click, pyyaml, rich, matplotlib, pillow, plotly, dash, pytest, pytest-cov and setuptools to permit the latest version.
Updates chemprop to 2.2.3

Release notes

Sourced from chemprop's releases.

v2.2.3

Notable changes

This patch version fixes a bug that prevented using the CLI code from a Jupyter Notebook (#1346). While we don't recommend importing and using the CLI functions, a package on chemprop-contrib did and needed this fix.

Support for python 3.13 was added in #1343 and support for pandas 3 was added in #1329.

A new CLI flag --save-data-splits was added in #1283. This flag splits the input data files into separate train/val/test files for easier calculation of model performance.

What's Changed

New Contributors

Full Changelog: chemprop/chemprop@v2.2.2...v2.2.3

Commits

Updates lightning to 2.6.1

Release notes

Sourced from lightning's releases.

Lightning v2.6.1

Changes in 2.6.1

PyTorch Lightning

  • Added method chaining support to LightningModule.freeze() and LightningModule.unfreeze() by returning self (#21469)
  • Added litlogger integration(#21430)
  • Deprecated to_torchscript method due to deprecation of TorchScript in PyTorch (#21397)
  • Removed support for Python 3.9 due to end-of-life status (#21398)
  • Fixed save_hyperparameters(ignore=...) behavior so subclass ignore rules override base class rules (#21490)
  • Fixed LightningDataModule.load_from_checkpoint to restore the datamodule subclass and hyperparameters (#21478)
  • Fixed ModelParallelStrategy single-file checkpointing when torch.compile wraps the model so optimizer states no longer raise KeyError during save (#21357)
  • Sanitize profiler filenames when saving to avoid crashes due to invalid characters (#21395)
  • Fixed StochasticWeightAveraging with infinite epochs (#21396)
  • Fixed _generate_seed_sequence_sampling function not producing unique seeds (#21399)
  • Fixed ThroughputMonitor callback emitting warnings too frequently (#21453)

Lightning Fabric

  • Exposed weights_only argument for loading checkpoints in Fabric.load() and Fabric.load_raw() (#21470)
  • Fixed DistributedSamplerWrapper not forwarding set_epoch to the underlying sampler (#21454)
  • Fixed DDP notebook CUDA fork check to allow passive initialization when CUDA is not actively used (#21402)

... (truncated)

Commits
  • 655a3a9 bump(deps): bump litlogger version to >=0.1.7 (#21517)
  • 300c05a Prepare release 2.6.1 (#21516)
  • dc16bc5 build(deps): update setuptools requirement from <80.9.1 to <80.10.3 in /requi...
  • 6ee3800 build(deps): update torchvision requirement from <0.25.0,>=0.16.0 to >=0.16.0...
  • 6478f8e Fix save_hyperparameters ignore precedence in subclasses (#21490)
  • 2712587 CI: fix doctest failure from PyTorch LeafSpec FutureWarning (#21502)
  • ae1dc6f fix(link-check): resolve broken URLs (#21493)
  • f0b1c52 fix(fabric): forward set_epoch to underlying sampler in DistributedSamplerWra...
  • bddc253 Fix warning frequency in throughput monitor callback (#21453)
  • 2f4b58a build(deps): update numpy requirement from <2.3.5,>2.1.0 to >2.1.0,<2.4.2 in ...
  • Additional commits viewable in compare view

Updates torch to 2.11.0

Release notes

Sourced from torch's releases.

PyTorch 2.11.0 Release Notes

Highlights

For more details about these highlighted features, you can look at the release blogpost. Below are the full release notes for this release.

Backwards Incompatible Changes

Release Engineering

... (truncated)

Changelog

Sourced from torch's changelog.

Releasing PyTorch

Release Compatibility Matrix

Following is the Release Compatibility Matrix for PyTorch releases:

... (truncated)

Commits
  • 70d99e9 [release only] Increase timeout for rocm libtorch and manywheel builds (#178006)
  • 3e05c5a [MPS] Properly handle conjugated tensors in bmm (#178010)
  • db741c7 [MPS] fix compiling of SDPA producing nan results (#178009)
  • 483b55d Update pytorch_sphinx_theme2 version to 0.4.6 (#177616)
  • 7f2cdeb [windows][smoke test] Add an option to install cuda if required cuda/cudnn on...
  • 76fd078 [release-only] Fix libtorch builds. Fix lint (#177299)
  • fa384de [Inductor][MPS] Fix half-precision type mismatches in Metal shader codegen (#...
  • 036b25f Let stable::from_blob accept a lambda as deleter (cherry-pick) (#176440)
  • 41f8e3e [CI] Stop using G3 runners (#177161)
  • e2fa295 [CD] Unpin cuda-bindings dependencies (#177159)
  • Additional commits viewable in compare view

Updates rdkit to 2026.3.1

Changelog

Sourced from rdkit's changelog.

Release_2026.09.1

(Changes relative to Release_2026.03.1)

Acknowledgements

(Note: I'm no longer attempting to manually curate names. If you would like to see your contribution acknowledged with your name, please set your name in GitHub)

Highlights

Backwards incompatible changes:

  • Since #9208, atom rings are "normalized" so that the first atom in the ring definition is the one with the lowest index, and the second one is the neighbor to the first which also has the lowest index.

Code removed in this release:

Deprecated code (to be removed in a future release):

Release_2026.03.1

(Changes relative to Release_2025.09.1)

Acknowledgements

(Note: I'm no longer attempting to manually curate names. If you would like to see your contribution acknowledged with your name, please set your name in GitHub)

Jakub Adamczyk, Rody Arantes, Kevin Boyd, Jessica Braun, Katharina Buchthal, Jackson Burns, Chi Cheng, David Cosgrove, Andrew Dirksen, Sergey Fedorov, Justin Gullingsrud, Tad Hurst, Lauriane Jacot-Descombes, Gareth Jones, Eisuke Kawashima, Brian Kelley, Joos Kiener, Jimmy Kromann, Phong Lam, Niels Maeder, Josh A. Mitchell, Dan Nealschneider, Yakov Pechersky, Patrick Penner, Paul Pillot, Rachael Pirie, Eliot Ragueneau, Max Rietmann, Pat Riley, Ricardo Rodriguez, Lukas Sigmund, Anton Siomchen, Raul Sofia, Matt Swain, Paolo Tosco, Ivan Tubert-Brohman, Philip Ullmann, Chris Von Bargen, Rachel Walker, Nic Zonta, 空酱, dkranthi221, EvaSnow, Pavel, stephenting22, Paul, paconius, spparel, wszqkzqk, Diogo, dehaenw

Highlights

  • A significant number of known SMILES canonicalization problems were resolved.
  • It's now possible to provide your own matching functions to supplement or replace the defaults when doing substructure matching.
  • An experimental new implementation of shape-based alignment using Gaussians.
  • Improvements to the molecular templates for 2D depiction and handling of macrocycles in the templates.

Backwards incompatible changes:

  • The Dict class (and therefore all the properties interfaces) has been updated to std::string_view keys. This is transparent to the Python interfaces,

... (truncated)

Commits

Updates pandas to 3.0.2

Release notes

Sourced from pandas's releases.

pandas 3.0.2

We are pleased to announce the release of pandas 3.0.2. This is a patch release in the 3.0.x series and includes some regression fixes and bug fixes. We recommend that all users of the 3.0.x series upgrade to this version.

See the full whatsnew for a list of all the changes.

Pandas 3.0 supports Python 3.11 and higher. The release can be installed from PyPI:

python -m pip install --upgrade pandas==3.0.*

Or from conda-forge

conda install -c conda-forge pandas=3.0

Please report any issues with the release on the pandas issue tracker.

Thanks to all the contributors who made this release possible.

Commits
  • ab90747 RLS: 3.0.2 (#64934)
  • 6f27013 Backport PR #64931 on branch 3.0.x (DOC/BLD: temporary disable upload of docs...
  • 48ddc60 Backport PR #64664 on branch 3.0.x (BUG: DataFrame.sum() crashes on empty Dat...
  • 8774488 [backport 3.0.x] PERF: fix slow python loop in validation for ArrowStringArra...
  • 33af6cc Backport PR #64133 on branch 3.0.x (BUG: str.find returns byte offset instead...
  • 4ef49d8 [backport 3.0.x] BUG: fix convert_dtypes dropping values from sliced mixed-dt...
  • 0668f34 [backport 3.0.x] BUG: Fix HDFStore.put with StringDtype columns and compressi...
  • 23f2f44 [backport 3.0.x] BUG: Suppress unnecessary RuntimeWarning in to_datetime with...
  • 83ba804 Backport PR #64886: BUG: Compute Variance of Complex Numbers Correctly (#64892)
  • bb5ca1a Backport PR #64386 on branch 3.0.x (BUG: fix sort_index AssertionError with R...
  • Additional commits viewable in compare view

Updates numpy to 2.4.4

Release notes

Sourced from numpy's releases.

2.4.4 (Mar 29, 2026)

NumPy 2.4.4 Release Notes

The NumPy 2.4.4 is a patch release that fixes bugs discovered after the 2.4.3 release. It should finally close issue #30816, the OpenBLAS threading problem on ARM.

This release supports Python versions 3.11-3.14

Contributors

A total of 8 people contributed to this release. People with a "+" by their names contributed a patch for the first time.

  • Charles Harris
  • Daniel Haag +
  • Denis Prokopenko +
  • Harshith J +
  • Koki Watanabe
  • Marten van Kerkwijk
  • Matti Picus
  • Nathan Goldbaum

Pull requests merged

A total of 7 pull requests were merged for this release.

  • #30978: MAINT: Prepare 2.4.x for further development
  • #31049: BUG: Add test to reproduce problem described in #30816 (#30818)
  • #31052: BUG: fix FNV-1a 64-bit selection by using NPY_SIZEOF_UINTP (#31035)
  • #31053: BUG: avoid warning on ufunc with where=True and no output
  • #31058: DOC: document caveats of ndarray.resize on 3.14 and newer
  • #31079: TST: fix POWER VSX feature mapping (#30801)
  • #31084: MAINT: numpy.i: Replace deprecated sprintf with snprintf...
Changelog

Sourced from numpy's changelog.

This is a walkthrough of the NumPy 2.4.0 release on Linux, which will be the first feature release using the numpy/numpy-release <https://github.com/numpy/numpy-release>__ repository.

The commands can be copied into the command line, but be sure to replace 2.4.0 with the correct version. This should be read together with the :ref:general release guide <prepare_release>.

Facility preparation

Before beginning to make a release, use the requirements/*_requirements.txt files to ensure that you have the needed software. Most software can be installed with pip, but some will require apt-get, dnf, or whatever your system uses for software. You will also need a GitHub personal access token (PAT) to push the documentation. There are a few ways to streamline things:

  • Git can be set up to use a keyring to store your GitHub personal access token. Search online for the details.

Prior to release

Add/drop Python versions

When adding or dropping Python versions, multiple config and CI files need to be edited in addition to changing the minimum version in pyproject.toml. Make these changes in an ordinary PR against main and backport if necessary. We currently release wheels for new Python versions after the first Python RC once manylinux and cibuildwheel support that new Python version.

Backport pull requests

Changes that have been marked for this release must be backported to the maintenance/2.4.x branch.

Update 2.4.0 milestones

Look at the issues/prs with 2.4.0 milestones and either push them off to a later version, or maybe remove the milestone. You may need to add a milestone.

Check the numpy-release repo

... (truncated)

Commits
  • be93fe2 Merge pull request #31090 from charris/prepare-2.4.4
  • f5245dc REL: Prepare for the NumPy 2.4.4 release
  • 02e838b Merge pull request #31084 from charris/backport-31056
  • fa74b2d MAINT: numpy.i: Replace deprecated sprintf with snprintf (#31056)
  • 533a6db Merge pull request #31079 from charris/backport-20801
  • 9e496cb TST: fix POWER VSX feature mapping (#30801)
  • 8052c4b Merge pull request #31058 from charris/backport-31021
  • 7f13b5a MAINT: Skip test on PyPy.
  • 4c5fdd6 MAINT: Remove unused import of tracemalloc.
  • a3ca5ed Update numpy/_core/src/multiarray/shape.c
  • Additional commits viewable in compare view

Updates scipy to 1.17.1

Release notes

Sourced from scipy's releases.

SciPy 1.17.1 Release Notes

SciPy 1.17.1 is a bug-fix release with no new features compared to 1.17.0.

Authors

  • Name (commits)
  • Evgeni Burovski (5)
  • Lucas Colley (1)
  • Christoph Gohlke (1)
  • Ralf Gommers (6)
  • Matt Haberland (5)
  • Matthias Koeppe (1)
  • Nick ODell (1)
  • Ilhan Polat (10)
  • Tyler Reddy (44)
  • Martin Schuck (3)
  • Dan Schult (3)
  • stratakis (1) +
  • ਗਗਨਦੀਪ ਸਿੰਘ (Gagandeep Singh) (1)

A total of 13 people contributed to this release. People with a "+" by their names contributed a patch for the first time. This list of names is automatically generated, and may not be fully complete.

Complete issue list, PR list, and release asset hashes are available in the associated README.txt.

Commits
  • 527eb7f REL: 1.17.1 release commit [wheel build]
  • f11663b Merge pull request #24584 from tylerjereddy/treddy_prep_1.17.1
  • 2c49e68 DOC: PR 24584 revisions
  • 400fa15 safely convert index dtypes to intc for csgraph and superLU
  • 8c70404 MAINT: PR 24584 revisions [wheel build]
  • 6dda8c1 BUG: PR 24584 revisions
  • 4a187e5 DOC: PR 24584 revisions
  • 463ee9f ENH: linalg/inv: re-enable overwrite_a for 2D inputs (#24442)
  • df746ee BUG: linalg: restore dtypes in inv, solve, det
  • 246bfee MAINT:optimize: Enable multi-phase init to DIRECT
  • Additional commits viewable in compare view

Updates click to 8.3.2

Release notes

Sourced from click's releases.

8.3.2

This is the Click 8.3.2 fix release, which fixes bugs but does not otherwise change behavior and should not result in breaking changes compared to the latest feature release.

PyPI: https://pypi.org/project/click/8.3.2/ Changes: https://click.palletsprojects.com/page/changes/#version-8-3-2 Milestone: https://github.com/pallets/click/milestone/29

  • Fix handling of flag_value when is_flag=False to allow such options to be used without an explicit value. #3084 #3152
  • Hide Sentinel.UNSET values as None when using lookup_default(). #3136 #3199 #3202 #3209 #3212 #3224
  • Prevent _NamedTextIOWrapper from closing streams owned by StreamMixer. #824 #2991 #2993 #3110 #3139 #3140
  • Add comprehensive tests for CliRunner stream lifecycle, covering logging interaction, multi-threaded safety, and sequential invocation isolation. Add high-iteration stress tests behind a stress marker with a dedicated CI job. #3139
  • Fix callable flag_value being instantiated when used as a default via default=True. #3121 #3201 #3213 #3225
Changelog

Sourced from click's changelog.

Version 8.3.2

Released 2026-04-02

  • Fix handling of flag_value when is_flag=False to allow such options to be used without an explicit value. :issue:3084 :pr:3152
  • Hide Sentinel.UNSET values as None when using lookup_default(). :issue:3136 :pr:3199 :pr:3202 :pr:3209 :pr:3212 :pr:3224
  • Prevent _NamedTextIOWrapper from closing streams owned by StreamMixer. :issue:824 :issue:2991 :issue:2993 :issue:3110 :pr:3139 :pr:3140
  • Add comprehensive tests for CliRunner stream lifecycle, covering logging interaction, multi-threaded safety, and sequential invocation isolation. Add high-iteration stress tests behind a stress marker with a dedicated CI job. :pr:3139
  • Fix callable flag_value being instantiated when used as a default via default=True. :issue:3121 :pr:3201 :pr:3213 :pr:3225

Version 8.3.1

Released 2025-11-15

  • Don't discard pager arguments by correctly using subprocess.Popen. :issue:3039 :pr:3055
  • Replace Sentinel.UNSET default values by None as they're passed through the Context.invoke() method. :issue:3066 :issue:3065 :pr:3068
  • Fix conversion of Sentinel.UNSET happening too early, which caused incorrect behavior for multiple parameters using the same name. :issue:3071 :pr:3079
  • Hide Sentinel.UNSET values as None when looking up for other parameters through the context inside parameter callbacks. :issue:3136 :pr:3137
  • Fix rendering when prompt and confirm parameter prompt_suffix is empty. :issue:3019 :pr:3021
  • When Sentinel.UNSET is found during parsing, it will skip calls to type_cast_value. :issue:3069 :pr:3090

Version 8.3.0

Released 2025-09-17

  • Improved flag option handling: Reworked the relationship between flag_value and default parameters for better consistency:

    • The default parameter value is now preserved as-is and passed directly to CLI functions (no more unexpected transformations)
    • Exception: flag options with default=True maintain backward compatibility by defaulting to their flag_value
    • The default parameter can now be any type (bool, None, etc.)
    • Fixes inconsistencies reported in: :issue:1992 :issue:2514 :issue:2610

... (truncated)

Commits

Updates pyyaml to 6.0.3

Release notes

Sourced from pyyaml's releases.

6.0.3

What's Changed

  • Support for Python 3.14 and free-threading (experimental).

Full Changelog: yaml/pyyaml@6.0.2...6.0.3

Changelog

Sourced from pyyaml's changelog.

6.0.3 (2025-09-25)

  • yaml/pyyaml#864 -- Support for Python 3.14 and free-threading (experimental)

6.0.2 (2024-08-06)

6.0.1 (2023-07-18)

6.0 (2021-10-13)

5.4.1 (2021-01-20)

  • yaml/pyyaml#480 -- Fix stub compat with older pyyaml versions that may unwittingly load it

5.4 (2021-01-19)

5.3.1 (2020-03-18)

  • yaml/pyyaml#386 -- Prevents arbitrary code execution during python/object/new constructor

5.3 (2020-01-06)

... (truncated)

Commits

Updates rich to 15.0.0

Release notes

Sourced from rich's releases.

The So Long 3.8 Release

A few fixes. The major version bump is to honor the passing of 3.8 support which reached its EOL in October 7, 2024

[15.0.0] - 2026-04-12

Changed

  • Breaking change: Dropped support for Python3.8

Fixed

Changelog

Sourced from rich's changelog.

[15.0.0] - 2026-04-12

Changed

  • Breaking change: Dropped support for Python3.8

Fixed

[14.3.4] - 2026-04-11

Changed

[14.3.3] - 2026-02-19

Fixed

[14.3.2] - 2026-02-01

Fixed

[14.3.1] - 2026-01-24

Fixed

[14.3.0] - 2026-01-24

Fixed

Added

... (truncated)

Commits

Updates matplotlib to 3.10.8

Release notes

Sourced from matplotlib's releases.

REL: v3.10.8

This is a bugfix release in the 3.10.x series.

The primary highlights of this release are:

  • Properly allow freethreaded mode in the MacOS backend
  • Better error handling for MacOS backend
Commits
  • 1392cbe REL: v3.10.8
  • 0b9ebb3 Doc release prep v3.10.8
  • bc7b5c4 Merge branch 'v3.10.7-doc' into v3.10.x
  • 86b38d3 Github stats v3.10.8
  • 9512188 Merge pull request #30717 from meeseeksmachine/auto-backport-of-pr-30714-on-v...
  • d300769 Backport PR #30714: FIX: Gracefully handle numpy arrays as input to check_in_...
  • 799bc95 Merge pull request #30711 from ngoldbaum/v3.10.x
  • 134000b Merge pull request #30697 from ngoldbaum/fix-plotting-on-worker-threads
  • 5b8e219 TST: Run macosx backends in a subprocess
  • 878e71a Backport PR #29810: Declare free-threaded support in MacOS backend extension ...
  • Additional commits viewable in compare view

Updates pillow to 12.2.0

Release notes

Sourced from pillow's releases.

12.2.0

https://pillow.readthedocs.io/en/stable/releasenotes/12.2.0.html

Documentation

Updates the requirements on [chemprop](https://github.com/chemprop/chemprop), [lightning](https://github.com/Lightning-AI/pytorch-lightning), [torch](https://github.com/pytorch/pytorch), [rdkit](https://github.com/rdkit/rdkit), [pandas](https://github.com/pandas-dev/pandas), [numpy](https://github.com/numpy/numpy), [scipy](https://github.com/scipy/scipy), [click](https://github.com/pallets/click), [pyyaml](https://github.com/yaml/pyyaml), [rich](https://github.com/Textualize/rich), [matplotlib](https://github.com/matplotlib/matplotlib), [pillow](https://github.com/python-pillow/Pillow), [plotly](https://github.com/plotly/plotly.py), [dash](https://github.com/plotly/dash), [pytest](https://github.com/pytest-dev/pytest), [pytest-cov](https://github.com/pytest-dev/pytest-cov) and [setuptools](https://github.com/pypa/setuptools) to permit the latest version.

Updates `chemprop` to 2.2.3
- [Release notes](https://github.com/chemprop/chemprop/releases)
- [Commits](chemprop/chemprop@v2.0.0...v2.2.3)

Updates `lightning` to 2.6.1
- [Release notes](https://github.com/Lightning-AI/pytorch-lightning/releases)
- [Commits](Lightning-AI/pytorch-lightning@2.0.0...2.6.1)

Updates `torch` to 2.11.0
- [Release notes](https://github.com/pytorch/pytorch/releases)
- [Changelog](https://github.com/pytorch/pytorch/blob/main/RELEASE.md)
- [Commits](pytorch/pytorch@ciflow/torchtitan/163335...v2.11.0)

Updates `rdkit` to 2026.3.1
- [Release notes](https://github.com/rdkit/rdkit/releases)
- [Changelog](https://github.com/rdkit/rdkit/blob/master/ReleaseNotes.md)
- [Commits](https://github.com/rdkit/rdkit/commits)

Updates `pandas` to 3.0.2
- [Release notes](https://github.com/pandas-dev/pandas/releases)
- [Commits](pandas-dev/pandas@v2.0.0...v3.0.2)

Updates `numpy` to 2.4.4
- [Release notes](https://github.com/numpy/numpy/releases)
- [Changelog](https://github.com/numpy/numpy/blob/main/doc/RELEASE_WALKTHROUGH.rst)
- [Commits](numpy/numpy@v1.25.0...v2.4.4)

Updates `scipy` to 1.17.1
- [Release notes](https://github.com/scipy/scipy/releases)
- [Commits](scipy/scipy@v1.11.0...v1.17.1)

Updates `click` to 8.3.2
- [Release notes](https://github.com/pallets/click/releases)
- [Changelog](https://github.com/pallets/click/blob/main/CHANGES.rst)
- [Commits](pallets/click@8.1.0...8.3.2)

Updates `pyyaml` to 6.0.3
- [Release notes](https://github.com/yaml/pyyaml/releases)
- [Changelog](https://github.com/yaml/pyyaml/blob/6.0.3/CHANGES)
- [Commits](yaml/pyyaml@6.0...6.0.3)

Updates `rich` to 15.0.0
- [Release notes](https://github.com/Textualize/rich/releases)
- [Changelog](https://github.com/Textualize/rich/blob/master/CHANGELOG.md)
- [Commits](Textualize/rich@v13.0.0...v15.0.0)

Updates `matplotlib` to 3.10.8
- [Release notes](https://github.com/matplotlib/matplotlib/releases)
- [Commits](matplotlib/matplotlib@v3.7.0...v3.10.8)

Updates `pillow` to 12.2.0
- [Release notes](https://github.com/python-pillow/Pillow/releases)
- [Changelog](https://github.com/python-pillow/Pillow/blob/main/CHANGES.rst)
- [Commits](python-pillow/Pillow@9.0.0...12.2.0)

Updates `plotly` to 6.7.0
- [Release notes](https://github.com/plotly/plotly.py/releases)
- [Changelog](https://github.com/plotly/plotly.py/blob/main/CHANGELOG.md)
- [Commits](plotly/plotly.py@v5.0.0...v6.7.0)

Updates `dash` to 4.1.0
- [Release notes](https://github.com/plotly/dash/releases)
- [Changelog](https://github.com/plotly/dash/blob/dev/CHANGELOG.md)
- [Commits](plotly/dash@v2.0.0...v4.1.0)

Updates `pytest` to 9.0.3
- [Release notes](https://github.com/pytest-dev/pytest/releases)
- [Changelog](https://github.com/pytest-dev/pytest/blob/main/CHANGELOG.rst)
- [Commits](pytest-dev/pytest@7.4.0...9.0.3)

Updates `pytest-cov` to 7.1.0
- [Changelog](https://github.com/pytest-dev/pytest-cov/blob/master/CHANGELOG.rst)
- [Commits](pytest-dev/pytest-cov@v4.1.0...v7.1.0)

Updates `setuptools` to 82.0.1
- [Release notes](https://github.com/pypa/setuptools/releases)
- [Changelog](https://github.com/pypa/setuptools/blob/main/NEWS.rst)
- [Commits](pypa/setuptools@v61.0.0...v82.0.1)

---
updated-dependencies:
- dependency-name: chemprop
  dependency-version: 2.2.3
  dependency-type: direct:production
  dependency-group: all
- dependency-name: lightning
  dependency-version: 2.6.1
  dependency-type: direct:production
  dependency-group: all
- dependency-name: torch
  dependency-version: 2.11.0
  dependency-type: direct:production
  dependency-group: all
- dependency-name: rdkit
  dependency-version: 2026.3.1
  dependency-type: direct:production
  dependency-group: all
- dependency-name: pandas
  dependency-version: 3.0.2
  dependency-type: direct:production
  dependency-group: all
- dependency-name: numpy
  dependency-version: 2.4.4
  dependency-type: direct:production
  dependency-group: all
- dependency-name: scipy
  dependency-version: 1.17.1
  dependency-type: direct:production
  dependency-group: all
- dependency-name: click
  dependency-version: 8.3.2
  dependency-type: direct:production
  dependency-group: all
- dependency-name: pyyaml
  dependency-version: 6.0.3
  dependency-type: direct:production
  dependency-group: all
- dependency-name: rich
  dependency-version: 15.0.0
  dependency-type: direct:production
  dependency-group: all
- dependency-name: matplotlib
  dependency-version: 3.10.8
  dependency-type: direct:production
  dependency-group: all
- dependency-name: pillow
  dependency-version: 12.2.0
  dependency-type: direct:production
  dependency-group: all
- dependency-name: plotly
  dependency-version: 6.7.0
  dependency-type: direct:production
  dependency-group: all
- dependency-name: dash
  dependency-version: 4.1.0
  dependency-type: direct:production
  dependency-group: all
- dependency-name: pytest
  dependency-version: 9.0.3
  dependency-type: direct:development
  dependency-group: all
- dependency-name: pytest-cov
  dependency-version: 7.1.0
  dependency-type: direct:development
  dependency-group: all
- dependency-name: setuptools
  dependency-version: 82.0.1
  dependency-type: direct:development
  dependency-group: all
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot Bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Apr 13, 2026
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dependabot Bot commented on behalf of github Apr 20, 2026

Looks like these dependencies are no longer updatable, so this is no longer needed.

@dependabot dependabot Bot closed this Apr 20, 2026
@dependabot dependabot Bot deleted the dependabot/pip/all-2f0075506f branch April 20, 2026 03:48
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