Pinned Repositories
cif2lammps
For the conversion of crystal systems (as cifs) to LAMMPS inputs
CoREMOF2019_EQeq
EQeq charges were calculated for 12,020 CIFs from the COREMOF2019 database
Darker1095
Config files for my GitHub profile.
ForceFields
A repository to hold forcefields for molecular mechanics calculations with RASPA
High_throughput_tools
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, automatic calculation of structural parameters, batch result analysis, etc.
the-craft-of-selfteaching
One has no future if one couldn't teach themself.
TidGi-Desktop
TidGi is an privatcy-in-mind, automated, auto-git-backup, freely-deployed Tiddlywiki knowledge management Desktop note app, with local REST API. 「 太记 」是一个基于「 太微 TiddlyWiki 」的知识管理桌面应用，能保护隐私内容、高级自动化、自动Git云备份、部署为博客，且可通过RESTAPI与Anki等应用连接。（迭代开发中欢迎试用，开发进度见下方链接）(Under active development, see website below for details)
tool-ml-layer-finder
Tool to find layers (and low-dimensional structures) within a bulk 3D structure, combined with machine learning to predict if the layer has a low binding energy
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
InterMol
Conversion tool for molecular simulations
Darker1095's Repositories
Darker1095/CoREMOF2019_EQeq
EQeq charges were calculated for 12,020 CIFs from the COREMOF2019 database
Darker1095/ForceFields
A repository to hold forcefields for molecular mechanics calculations with RASPA
Darker1095/cif2lammps
For the conversion of crystal systems (as cifs) to LAMMPS inputs
Darker1095/Darker1095
Config files for my GitHub profile.
Darker1095/High_throughput_tools
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, automatic calculation of structural parameters, batch result analysis, etc.
Darker1095/the-craft-of-selfteaching
One has no future if one couldn't teach themself.
Darker1095/TidGi-Desktop
TidGi is an privatcy-in-mind, automated, auto-git-backup, freely-deployed Tiddlywiki knowledge management Desktop note app, with local REST API. 「 太记 」是一个基于「 太微 TiddlyWiki 」的知识管理桌面应用，能保护隐私内容、高级自动化、自动Git云备份、部署为博客，且可通过RESTAPI与Anki等应用连接。（迭代开发中欢迎试用，开发进度见下方链接）(Under active development, see website below for details)
Darker1095/tool-ml-layer-finder
Tool to find layers (and low-dimensional structures) within a bulk 3D structure, combined with machine learning to predict if the layer has a low binding energy