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@chemfiles Chemfiles

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    32 repositories

    • Chemfiles.jl

      Public
      Julia bindings to chemfiles
      Julia
      •
      Other
      •22•37•3•0•Updated Nov 27, 2024Nov 27, 2024

    • chemfiles.py

      Public
      Python binding to chemfiles
      Python
      •
      Other
      •1•4•3•1•Updated Sep 5, 2024Sep 5, 2024

    • chemfiles-lib-feedstock

      Public
      A conda-smithy repository for chemfiles-lib.
      BSD 3-Clause "New" or "Revised" License
      •5•0•0•0•Updated Apr 9, 2024Apr 9, 2024

    • chemfiles

      Public
      Library for reading and writing chemistry files
      fileslibrarychemistrycheminformaticscomputational-chemistrycompchemhacktoberfest
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •47•164•44•4•Updated Mar 13, 2024Mar 13, 2024

    • zlib

      Public
      A massively spiffy yet delicately unobtrusive compression library.
      C
      •
      Other
      •2.5k•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • tng

      Public
      C++
      •
      Other
      •3•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • pugixml

      Public
      Light-weight, simple and fast XML parser for C++ with XPath support
      C++
      •
      MIT License
      •730•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • molfiles

      Public
      VMD molfiles for usage in chemfiles
      C
      •
      Other
      •1•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • mmtf-cpp

      Public
      The pure c++ implementation of the MMTF API, decoder and encoder.
      C++
      •
      MIT License
      •24•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • gemmi

      Public
      macromolecular crystallography library and utilities
      C++
      •
      Mozilla Public License 2.0
      •46•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • fmt

      Public
      A modern formatting library
      C++
      •
      Other
      •2.5k•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • bzip2

      Public
      Forked from https://gitlab.com/bzip2/bzip2
      C
      •
      Other
      •0•0•0•0•Updated Feb 28, 2024Feb 28, 2024

    • chemfiles.rs

      Public
      Rust bindings to chemfiles
      Rust
      •
      Other
      •5•14•4•0•Updated Feb 15, 2024Feb 15, 2024

    • tests-data

      Public
      Test files for chemfiles
      Arc
      •4•0•0•0•Updated Sep 25, 2023Sep 25, 2023

    • zlib-ng

      Public
      zlib replacement with optimizations for "next generation" systems.
      C
      •
      zlib License
      •264•0•0•0•Updated Sep 12, 2023Sep 12, 2023

    • chemfiles-prebuilt

      Public
      Julia
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Aug 29, 2023Aug 29, 2023

    • chemfiles-feedstock

      Public
      A conda-smithy repository for chemfiles.
      Shell
      •
      BSD 3-Clause "New" or "Revised" License
      •2•0•0•0•Updated Jun 4, 2023Jun 4, 2023

    • chemfiles.github.io

      Public
      Website for the chemfile project
      HTML
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 4, 2023Jun 4, 2023

    • chemfiles-python-feedstock

      Public
      A conda-smithy repository for chemfiles-python.
      BSD 3-Clause "New" or "Revised" License
      •6•0•0•0•Updated May 23, 2023May 23, 2023

    • chemfiles.f03

      Public
      Fortran binding to chemfiles
      Fortran
      •
      Other
      •3•2•1•0•Updated May 17, 2023May 17, 2023

    • chemfiles.js

      Public
      [WIP] Javascript (node.js and browser) bindings to chemfiles
      TypeScript
      •2•1•2•0•Updated Mar 23, 2023Mar 23, 2023

    • cfiles

      Public
      Analysing trajectories with chemfiles
      C++
      •
      Other
      •4•12•10•0•Updated Jan 6, 2023Jan 6, 2023

    • benchmarks

      Public
      Benchmarks of chemfiles and other chemistry files reader
      Python
      •0•2•0•0•Updated Oct 26, 2022Oct 26, 2022

    • xdrfile

      Public archive
      GROMACS libxdrfile fork (ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz)
      C
      •
      BSD 2-Clause "Simplified" License
      •6•3•0•0•Updated Nov 30, 2021Nov 30, 2021

    • netcdf

      Public archive
      CMake
      •0•1•0•0•Updated Apr 25, 2021Apr 25, 2021

    • lzma

      Public
      Forked from https://git.tukaani.org/?p=xz.git
      C
      •
      Other
      •1•5•0•0•Updated Apr 10, 2021Apr 10, 2021

    • bindgen

      Public
      Binding generator for the chemfiles library
      Python
      •
      MIT License
      •1•0•1•0•Updated Jan 27, 2021Jan 27, 2021

    • netcdf-c

      Public
      Chemfiles fork of the NetCDF library
      C
      •
      Other
      •262•0•0•0•Updated Mar 18, 2019Mar 18, 2019

    • iupac_formats

      Public
      Modern build system for embedding IUPAC formats into C and C++ projects
      C
      •
      Other
      •1•0•0•0•Updated Sep 15, 2018Sep 15, 2018

    • conda-to-wheels

      Public archive
      Convert the conda-forge build to python wheels
      Python
      •0•0•0•0•Updated Nov 21, 2017Nov 21, 2017