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pypi.org "surface-chemistry" keyword

surface-crns 1.2.1
Simulation of chemical reaction networks (CRNs) on a surface
3 versions - Latest release: over 5 years ago - 1 dependent repositories - 268 downloads last month - 4 stars on GitHub - 1 maintainer
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
Related Keywords
ASE 2 MLIP 2 NEB 2 adsorption 2 catalysis 2 computational-chemistry 2 machine-learning-potential 2 reaction-network 2 transition-state 2 ase 2 machine-learning-potentials 2 mlip 2 neb 2 mathematics 1 cellular-automata 1