8000 Martínez Molecular Modeling Group · GitHub
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Martínez Molecular Modeling Group

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  1. packmol packmol Public

    Packmol - Initial configurations for molecular dynamics simulations

    Fortran 271 51

  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 96 5

  3. ComplexMixtures.jl ComplexMixtures.jl Public

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

    Julia 17 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 12 3

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