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    • twosteprt

      Public
      Python
      MIT License
      0200Updated Jan 27, 2025Jan 27, 2025
    • A Python package for standardizing SMILES and InChI strings with RDKit and PubChem
      Python
      1500Updated Oct 21, 2024Oct 21, 2024
    • Computation of myopic MCES distance
      Python
      MIT License
      5100Updated Oct 8, 2024Oct 8, 2024
    • Python
      1400Updated Sep 21, 2024Sep 21, 2024
    • docs.sirius.github.io

      Public archive
      4400Updated Sep 6, 2024Sep 6, 2024
    • ILP solver API for FragTree computation using the coin-or CLP library
      JetBrains MPS
      Eclipse Public License 1.0
      1000Updated Aug 19, 2024Aug 19, 2024
    • 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
      Java
      GNU Lesser General Public License v3.0
      1000Updated Apr 21, 2021Apr 21, 2021
    • Rsirius

      Public archive
      sirius-apis
      R
      MIT License
      0300Updated Oct 28, 2020Oct 28, 2020
    • gecko

      Public
      The official repository of the gecko gene cluster software
      Java
      GNU Lesser General Public License v3.0
      1100Updated Nov 5, 2018Nov 5, 2018
    • The bcd supertrees algorithm implemented in java as a command line tool.
      Java
      GNU General Public License v3.0
      0100Updated Aug 15, 2018Aug 15, 2018
    • mzmine2

      Public
      MZmine 2 source repository
      Java
      GNU General Public License v2.0
      132000Updated Apr 22, 2018Apr 22, 2018
    • Greedy Strict Consensus Merger Project: containing the algorithmic part (gscm-lib) and the comandline tool (gscm-cli))
      Java
      GNU Lesser General Public License v2.1
      0000Updated Sep 14, 2017Sep 14, 2017
    • passatuto

      Public
      source code of passatuto by Kerstin Scheubert
      Java
      GNU General Public License v3.0
      11000Updated Jan 20, 2017Jan 20, 2017