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Intrinsic Reaction Coordinate Python Packages

Python packages with the GitHub topic intrinsic-reaction-coordinate. Sorted by monthly downloads, with stars and forks.
eljost
pysisyphus

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

1K 134 49
    • Original data from PyPI, GitHub, and OSV; downloads served through ClickHouse
    • Sources & methodology