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@m3g

Martínez Molecular Modeling Group

Pinned Loading

  1. packmol packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    Fortran 230 52

  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 89 4

  3. ComplexMixtures.jl ComplexMixtures.jl Public

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

    Julia 15 3

  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 11 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 15 MIT 3 0 0 Updated Nov 23, 2024
  • PDBTools.jl Public

    Simple structure and functions to read and write PDB files

    m3g/PDBTools.jl’s past year of commit activity
    Julia 11 MIT 2 1 1 Updated Nov 22, 2024
  • MolSimToolkit.jl Public

    A set of tools for analyzing molecular dynamics simulations

    m3g/MolSimToolkit.jl’s past year of commit activity
    Julia 9 MIT 2 0 2 Updated Nov 22, 2024
  • packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    m3g/packmol’s past year of commit activity
    Fortran 230 MIT 52 2 0 Updated Nov 19, 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 89 MIT 4 10 1 Updated Nov 19, 2024
  • Packmol.jl Public

    The future of Packmol

    m3g/Packmol.jl’s past year of commit activity
    Julia 23 MIT 2 1 0 Updated Nov 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 1 0 Updated Nov 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 Nov 5, 2024
  • PereiraMartinez2024.jl Public

    Supplementary information for Pereira and Martínez, 2024.

    m3g/PereiraMartinez2024.jl’s past year of commit activity
    Julia 0 MIT 0 0 1 Updated Sep 26, 2024
  • SPGBox.jl Public

    Spectral Projected Gradient Method for Box-Constrained Minimization

    m3g/SPGBox.jl’s past year of commit activity
    Julia 17 MIT 3 2 1 Updated Aug 26, 2024