Ecosyste.ms: Packages
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conda-forge.org : soprano
Soprano is a Python library developed and maintained by the CCP for NMR Crystallography as a tool to help scientists working with crystallography and simulations to generate, manipulate, run calculations on and analyse large data sets of crystal structures, with a particular attention to the output of ab-initio random structure searching, or AIRSS. (https://www.mtg.msm.cam.ac.uk/Codes/AIRSS) It provides a number of functionalities to help automate many common tasks in computational crystallography.
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purl: pkg:conda/soprano
Keywords: chemistry, computational-chemistry, crystallography, machine-learning, nmr, physics
License: LGPL-3.0-only
Latest release: over 2 years ago
First release: over 2 years ago
Dependent packages: 2
Stars: 6 on GitHub
Forks: 11 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 27 days ago