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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 214 48

  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 87 4

  3. ComplexMixtures.jl ComplexMixtures.jl Public

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

    Julia 14 2

  4. lovoalign lovoalign Public

    Fortran 8 5

  5. topolink topolink Public

    Topolink

    Fortran 1

  6. PDBTools.jl PDBTools.jl Public

    Simple structure and functions to read and write PDB files

    Julia 9

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 14 MIT 2 0 1 Updated Jul 3, 2024
  • Packmol.jl Public

    The future of Packmol

    m3g/Packmol.jl’s past year of commit activity
    Julia 16 MIT 0 1 0 Updated Jul 2, 2024
  • MolSimToolkit.jl Public

    A set of tools for analyzing molecular dynamics simulations

    m3g/MolSimToolkit.jl’s past year of commit activity
    Julia 7 MIT 2 0 0 Updated Jul 2, 2024
  • PDBTools.jl Public

    Simple structure and functions to read and write PDB files

    m3g/PDBTools.jl’s past year of commit activity
    Julia 9 MIT 0 1 3 Updated Jun 20, 2024
  • packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    m3g/packmol’s past year of commit activity
    Fortran 214 MIT 48 3 0 Updated Jun 19, 2024
  • JuliaNotes.jl Public

    A collection of examples and explanations about Julia

    m3g/JuliaNotes.jl’s past year of commit activity
    Julia 153 MIT 13 0 1 Updated Jun 18, 2024
  • m3g.github.io Public

    Martínez Molecular Modeling Group

    m3g/m3g.github.io’s past year of commit activity
    HTML 0 0 0 0 Updated Jun 18, 2024
  • EasyFit.jl Public

    Easy interface for obtaining fits for 2D data

    m3g/EasyFit.jl’s past year of commit activity
    Julia 37 MIT 4 0 0 Updated Jun 10, 2024
  • 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 87 MIT 4 10 0 Updated May 16, 2024
  • 2021_FortranCon Public

    Simulation codes shown at the FortranCon 2021

    m3g/2021_FortranCon’s past year of commit activity
    Julia 21 MIT 2 0 0 Updated Apr 12, 2024