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    3 repositories

    • volcalc

      Public
      volcalc: Calculate Volatility of Chemical Compounds
      cheminformaticsmetabolomicschemometrics
      R
      •
      Other
      •1•5•4•0•Updated Apr 24, 2025Apr 24, 2025

    • py-tofspec

      Public
      Python
      •
      MIT License
      •0•0•1•0•Updated Aug 22, 2023Aug 22, 2023

    • binder_volcalc

      Public
      Repo to hold input files to create a My Binder instances that enables interactive use of volcalc R package
      R
      •1•0•1•0•Updated Jan 6, 2023Jan 6, 2023