Chair of Bioinformatics Jena
Official github of the Chair of Bioinformatics at FSU Jena (Sebastian Böcker)
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standardizeUtils
standardizeUtils PublicA Python package for standardizing SMILES and InChI strings with RDKit and PubChem
Python 4
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bcd-supertrees
bcd-supertrees PublicThe bcd supertrees algorithm implemented in java as a command line tool.
Java 1
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- myopic-mces-data Public
boecker-lab/myopic-mces-data’s past year of commit activity - standardizeUtils Public
A Python package for standardizing SMILES and InChI strings with RDKit and PubChem
boecker-lab/standardizeUtils’s past year of commit activity - docs.sirius.github.io Public archive
boecker-lab/docs.sirius.github.io’s past year of commit activity - ftree-msn Public
Java code for MSn fragmentation tree computation as described in Scheubert et al.: https://doi.org/10.1007/978-3-662-44753-6_17
boecker-lab/ftree-msn’s past year of commit activity