Python tools for analysis of chemical compounds

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  • License: GNU Lesser General Public License v3 or later (LGPLv3+) (LGPL3)
  • Author: Dominic Davis-Foster
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Python tools for analysis of chemical compounds

Lookup adapted from PubChemPy

Copyright 2017 Matt Swain <m.swain@me.com>

https://github.com/mcs07/PubChemPy

Available under the MIT License

SpectrumSimilarity

Adapted from SpectrumSimilarity.R Part of OrgMassSpecR

Copyright 2011-2017 Nathan Dodder <nathand@sccwrp.org>

https://cran.r-project.org/web/packages/OrgMassSpecR/index.html

Available under the BSD 2-Clause License

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  • License: GNU Lesser General Public License v3 or later (LGPLv3+) (LGPL3)
  • Author: Dominic Davis-Foster
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Release history Release notifications | RSS feed

1.1.1

1.1.0

1.0.1

1.0.0

1.0.0b2 pre-release

1.0.0b1 pre-release

0.6.0

0.5.1

0.5.0

0.4.1

0.4.0

0.3.1

0.3.0

0.2.11

0.2.10

0.2.9

0.2.8

0.2.7

0.2.6

0.2.5

0.2.4

0.2.2

This version

0.2.1

0.2.0

0.1.2

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