group-contribution

There are 2 repositories under group-contribution topic.

  • ClapeyronThermo/GCIdentifier.jl

    tools to perform group contribution (GC) identification, given the SMILES of a compound

    Language:Julia15442
  • roberts-farm-of-ideas/9

    Compare the results from eQuilibrator (component contribution) or group contribution methods with experimental results from nucleoside phosphorolysis