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  • 👋 Hi, I’m @GumiJiong
  • 👀 I’m interested in computational chemistry
  • 📫 [email protected]

gumijiong's Projects

awesome-cheatsheets icon awesome-cheatsheets

超级速查表 - 编程语言、框架和开发工具的速查表,单个文件包含一切你需要知道的东西 :zap:

blis icon blis

BLAS-like Library Instantiation Software Framework

catkit icon catkit

General purpose tools for high-throughput catalysis

catlearn icon catlearn

A machine learning environment for atomic-scale modeling in surface science and catalysis.

catmap icon catmap

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

libcint icon libcint

general GTO integrals for quantum chemistry

pymatgen icon pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pyscf icon pyscf

Python module for quantum chemistry

vimplus icon vimplus

:rocket:An automatic configuration program for vim

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