3D

  • AutoDock-SS: AutoDock-SS enhances AutoDock for multiconformational and flexible ligand docking, considering various ligand conformations for accurate docking predictions.

    Publication JIF

  • ROSHAMBO: Open-Source Molecular Alignment and 3D Similarity Scoring
    Code Last Commit

    Publication

  • SCRdkit: assesses the 3D similarity between generated molecules and a reference molecule
    Code Last Commit

    Publication JIF

  • SENSAAS: SENSAAS is a shape-based alignment software for superimposing molecules, utilizing a colored point-based surface representation for molecular comparison.
    Code Last Commit

    Publication JIF

  • ShaEP: ShaEP aligns two 3D molecular structures and computes a similarity index, useful for virtual screening and 3D QSAR methods.

    Publication JIF