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@m3g

Martínez Molecular Modeling Group

Pinned Loading

  1. packmol packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    Fortran 293 53

  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 97 5

  3. ComplexMixtures.jl ComplexMixtures.jl Public

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

    Julia 20 3

  4. lovoalign lovoalign Public

    Fortran 10 5

  5. topolink topolink Public

    Topolink

    Fortran 1

  6. PDBTools.jl PDBTools.jl Public

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

    Julia 14 3

Repositories

Showing 10 of 49 repositories
  • 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 Aug 12, 2025
  • MolSimToolkit.jl Public

    A set of tools for analyzing molecular dynamics simulations

    m3g/MolSimToolkit.jl’s past year of commit activity
    Julia 10 MIT 2 1 1 Updated Aug 8, 2025
  • packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    m3g/packmol’s past year of commit activity
    Fortran 293 MIT 53 1 1 Updated Jul 12, 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 97 MIT 5 12 4 Updated Jul 3, 2025
  • 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 20 MIT 3 0 1 Updated Jul 3, 2025
  • PereiraMartinez2025.jl Public

    Supplementary information for Pereira and Martínez, 2024.

    m3g/PereiraMartinez2025.jl’s past year of commit activity
    Julia 0 MIT 1 0 1 Updated Jun 26, 2025
  • m3g.github.io Public

    Martínez Molecular Modeling Group

    m3g/m3g.github.io’s past year of commit activity
    HTML 0 0 1 0 Updated Jun 11, 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 14 MIT 3 1 0 Updated Jun 6, 2025
  • Packmol.jl Public

    The future of Packmol

    m3g/Packmol.jl’s past year of commit activity
    Julia 37 MIT 3 2 1 Updated Jun 4, 2025
  • EasyFit.jl Public

    Easy interface for obtaining fits for 2D data

    m3g/EasyFit.jl’s past year of commit activity
    Julia 43 MIT 4 1 0 Updated Apr 29, 2025