pypi.org "reaction-network" keyword
reaction-network 8.3.0
Reaction-network is a Python package for synthesis planning and predicting chemical reaction path...28 versions - Latest release: over 2 years ago - 2 dependent repositories - 22.9 thousand downloads last month - 133 stars on GitHub - 2 maintainers
biosimulators-masspy 0.1.2
BioSimulators-compliant command-line interface to the MassPY simulation program <https://masspy.r...12 versions - Latest release: about 2 years ago - 2 dependent repositories - 76 downloads last month - 1 stars on GitHub - 2 maintainers
autocatpath 0.7.0
Reaction-pathway explorer for catalyst surfaces with ML interatomic potentials: reaction networks...8 versions - Latest release: 3 months ago - 307 downloads last month - 0 stars on GitHub - 1 maintainer
catpath 0.7.0
Reaction-pathway explorer for catalyst surfaces with ML interatomic potentials: reaction networks...10 versions - Latest release: 3 months ago - 628 downloads last month - 0 stars on GitHub - 1 maintainer
reacnet-md-tools 0.1.5
Helpers around reactive MD post-processing workflows (ReacNetGenerator).3 versions - Latest release: 8 months ago - 56 downloads last month - 1 maintainer
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