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@m3g

Martínez Molecular Modeling Group

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  1. packmol packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    Fortran 347 60

  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 101 5

  3. ComplexMixtures.jl ComplexMixtures.jl Public

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

    Julia 23 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 2

Repositories

Showing 10 of 52 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 23 MIT 4 0 1 Updated Mar 27, 2026
  • SFEModeling.jl Public

    Supercritical Fluid Extraction data modeling tool

    m3g/SFEModeling.jl’s past year of commit activity
    Julia 0 MIT 0 0 3 Updated Mar 27, 2026
  • 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 2 1 1 Updated Mar 25, 2026
  • MolSimToolkit.jl Public

    A set of tools for analyzing molecular dynamics simulations

    m3g/MolSimToolkit.jl’s past year of commit activity
    Julia 12 MIT 3 2 3 Updated Mar 25, 2026
  • 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 0 Updated Mar 20, 2026
  • m3g.github.io Public

    Martínez Molecular Modeling Group

    m3g/m3g.github.io’s past year of commit activity
    HTML 0 0 1 0 Updated Mar 16, 2026
  • FundamentosDMC.jl Public

    Material para el curso Fundamentos de Mecánica Estadística y Simulaciones: Simulación Computacional Avanzada en Química, Bioquímica y Ciencias de Materiales. CELFI/Universidad de Buenos Aires

    m3g/FundamentosDMC.jl’s past year of commit activity
    Julia 9 MIT 1 0 0 Updated Mar 4, 2026
  • Packmol.jl Public

    The future of Packmol

    m3g/Packmol.jl’s past year of commit activity
    Julia 41 MIT 4 2 2 Updated Mar 4, 2026
  • 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 101 MIT 5 9 0 Updated Feb 24, 2026
  • packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    m3g/packmol’s past year of commit activity
    Fortran 347 MIT 60 2 0 Updated Feb 10, 2026

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