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🤺 About Me

我们正在让这个世界变得更加美好，通过代码的重复使用和延展构建完美体系。

We're making the world a better place. Through constructing elegant hierarchies for maximum code reuse and extensibility.

Zenan Shi's Projects

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

forcefields

A repository to hold forcefields for molecular mechanics calculations with RASPA

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

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