overreact icon indicating copy to clipboard operation
overreact copied to clipboard

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

Results 18 overreact issues
Sort by recently updated
recently updated
newest added

Bumps [ruff](https://github.com/astral-sh/ruff) from 0.3.7 to 0.4.2. Release notes Sourced from ruff's releases. v0.4.2 Changes Rule changes [flake8-pyi] Allow for overloaded __exit__ and __aexit__ definitions (PYI036) (#11057) [pyupgrade] Catch usages of...

dependencies
python

Bumps [black](https://github.com/psf/black) from 24.3.0 to 24.4.2. Release notes Sourced from black's releases. 24.4.2 This is a bugfix release to fix two regressions in the new f-string parser introduced in 24.4.1....

dependencies
python

Bumps [mypy](https://github.com/python/mypy) from 1.9.0 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

Bumps [types-setuptools](https://github.com/python/typeshed) from 69.2.0.20240317 to 69.5.0.20240423. Commits See full diff in compare view [![Dependabot compatibility score](https://dependabot-badges.githubapp.com/badges/compatibility_score?dependency-name=types-setuptools&package-manager=pip&previous-version=69.2.0.20240317&new-version=69.5.0.20240423)](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

Imagine what happens when we get ``` $scheme [...] // Harmless, huh? B -> E# -> H -> L# -> M:RNH2 [...] $compounds [...] // Actually eats your brain out...

bug
good first issue

Support for [type hints](https://docs.python.org/3.9/library/typing.html) is a plus to the future.

documentation
enhancement
good first issue

The bug was found while working on #416. Possibly related to #68. Failing tests are in place, but they pass since analytical Jacobian usage has been temporarily disabled (see 30a911d8324ad64871508431231c2eda339abc27).

bug

Make [gendocs.sh](https://github.com/geem-lab/overreact/blob/main/gendocs.sh) run @ CI.

Option: run the GUI online (?) → Add references

enhancement
help wanted
gui

https://doi.org/10.1021/jacs.1c07351

enhancement