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qcscine/chemoton: Release 2.2.0

OPEN ACCESS

Downloads

chemoton-2.2.0.zip (ZIP, 420.69 KB)

Author / Producer

Grimmel, Stephanie A. Simm, Gregor N.

Date

2022-09-27

Publication Type

Software

ETH Bibliography

yes

Citations

Altmetric
OPEN ACCESS

Downloads

chemoton-2.2.0.zip (ZIP, 420.69 KB)

Data

Rights / License

BSD 3-Clause License north_east

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-000572511

Publication status

External links

https://doi.org/10.5281/ZENODO.7107722 north_east

Editor

Book title

Journal / series

Volume

Pages / Article No.

Publisher

CERN

Event

Edition / version

Methods

Software

Geographic location

Date collected

Date created

Subject

Organisational unit

03736 - Reiher, Markus / Reiher, Markus check_circle

Notes

Funding

Related publications and datasets

More

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