maccs

There are 2 repositories under maccs topic.

  • UnixJunkie/consent

    ligand-based virtual screening with consensus queries

    Language:OCaml83144

  • kuulia/BESPE-MACCS

    A proof-of-concept type demo of the Binary Encoded SMARTS Pattern Enumeration + Molecular aCCess System molecular descriptor developed as part of Bachelor's Thesis: "Molecular descriptor engineering for machine learning predictions in atmospheric science." Includes a toy data set for demonstrative purposes.

    Language:Python20