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  • COFBuilder Public

    1 Updated Nov 12, 2024
  • sugar Public

    A Python Package for Prediction of Supramolecular Recognition in Porous Molecular Materials

    Python 1 MIT License Updated Nov 16, 2023
  • zeo_utils Public

    Forked from zbc0315/zeo_utils
    Python MIT License Updated Nov 24, 2022
  • 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合,可用于并行计算等温线、高通量模拟,zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for parallel calculation of isotherms, high-throughput simulation, a…

    Python Updated Mar 7, 2022
  • MoloVol Public

    Forked from molovol/MoloVol

    MoloVol is a scientific software designed MoloVol is a free, cross-plattform, scientific software for volume and surface computations of single molecules and crystallographic unit cells.

    C++ MIT License Updated Nov 28, 2021
  • C++ Programming Tutorial in Chemistry

    Updated Nov 19, 2021
  • automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs

    Python MIT License Updated Aug 3, 2021