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If you wish to report a bug, or if you are interested in having us mirror your free-software or open-source project, please feel free to contact us at mirror[@]metanet.ch.

To cite SOMMD in publications use:

Motta S, Callea L, Bonati L, Pandini A (2022). “PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations.” Journal of Chemical Theory and Computation, 18(3), 1957-1968. doi:10.1021/acs.jctc.1c01163.

Corresponding BibTeX entry:

  @Article{,
    title = {PathDetect-SOM: A Neural Network Approach for the
      Identification of Pathways in Ligand Binding Simulations},
    author = {S. Motta and L. Callea and L. Bonati and A. Pandini},
    journal = {Journal of Chemical Theory and Computation},
    year = {2022},
    volume = {18},
    number = {3},
    pages = {1957-1968},
    doi = {10.1021/acs.jctc.1c01163},
  }

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.