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Search results for open data cheminformatics
cheminformatics
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3 search results found
Ani1_dataset
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71
A data set of 20 million calculated off-equilibrium conformations for organic molecules
Mocca
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19
Open-source Python project to analyze HPLC–DAD raw data.
Chromconverter
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18
Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
Chromatographr
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11
Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
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