qcscine/chemoton: Release 2.2.0
Abstract
Changes: Introduce Pathfinder, a graph-based approach to analyze how compounds are connected via reactions while considering kinetic and stoichiometric constraints
Permanent link
https://doi.org/10.3929/ethz-b-000572511External links
Publisher
CERNOrganisational unit
03736 - Reiher, Markus / Reiher, Markus
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