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@m3g

Martínez Molecular Modeling Group

Pinned Loading

  1. packmol packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    Fortran 321 57

  2. CellListMap.jl CellListMap.jl Public

    Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbor lists, etc.

    Julia 98 5

  3. ComplexMixtures.jl ComplexMixtures.jl Public

    Package to perform minimum-distance distribution analyses of complex solute-solvent interactions

    Julia 22 4

  4. lovoalign lovoalign Public

    Fortran 12 5

  5. topolink topolink Public

    Topolink

    Fortran 2

  6. PDBTools.jl PDBTools.jl Public

    Read, write and manipulate atomic systems in PDB and mmCIF formats

    Julia 16 3

Repositories

Showing 10 of 51 repositories
  • ComplexMixtures.jl Public

    Package to perform minimum-distance distribution analyses of complex solute-solvent interactions

    m3g/ComplexMixtures.jl’s past year of commit activity
    Julia 22 MIT 4 0 1 Updated Dec 15, 2025
  • LAPM.jl Public

    LAPM WIP

    m3g/LAPM.jl’s past year of commit activity
    Julia 0 MIT 1 0 1 Updated Dec 15, 2025
  • PDBTools.jl Public

    Read, write and manipulate atomic systems in PDB and mmCIF formats

    m3g/PDBTools.jl’s past year of commit activity
    Julia 16 MIT 3 1 1 Updated Dec 15, 2025
  • MolSimToolkitShared.jl Public

    This package is a placeholder for function names that might be shared among other packages.

    m3g/MolSimToolkitShared.jl’s past year of commit activity
    Julia 0 MIT 0 0 2 Updated Dec 15, 2025
  • packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    m3g/packmol’s past year of commit activity
    Fortran 321 MIT 57 2 0 Updated Dec 3, 2025
  • Packmol.jl Public

    The future of Packmol

    m3g/Packmol.jl’s past year of commit activity
    Julia 40 MIT 3 2 1 Updated Dec 3, 2025
  • CellListMap.jl Public

    Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbor lists, etc.

    m3g/CellListMap.jl’s past year of commit activity
    Julia 98 MIT 5 12 4 Updated Dec 1, 2025
  • ShowMethodTesting.jl Public

    A simple package to help testing show methods for custom types.

    m3g/ShowMethodTesting.jl’s past year of commit activity
    Julia 0 MIT 0 0 1 Updated Nov 24, 2025
  • MolSimToolkit.jl Public

    A set of tools for analyzing molecular dynamics simulations

    m3g/MolSimToolkit.jl’s past year of commit activity
    Julia 12 MIT 2 2 2 Updated Nov 24, 2025
  • m3g/Piccoli_Martinez_2025.jl’s past year of commit activity
    Julia 0 MIT 1 0 1 Updated Nov 24, 2025