24 projects
nodejs-wheel-binaries
unoffical Node.js package
nodejs-wheel
unoffical Node.js package
wangluotong
A command-line tool to log in to USTC WLT.
lammps
unoffical LAMMPS Molecular Dynamics Python package
wenxian
Generate references.
openbabel-wheel
An unofficial repository to distribute OpenBabel prebuilt wheels through Pypi..
zhihubackup
Backup your Zhihu contents before quitting Zhihu.
mddatasetbuilder
A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS trajectories automatically.
dpdata-qdpi
The dpdata plugin for QDPi.
replace-pip-with-uv-pip
Replace pip with uv pip.
comparemol
Compare if two molecules are equivalent.
dpamber
Some useful tools related to Amber and DP.
gaussianrunner
A script to run Gaussian automatically.
qiuwenbot
Qiuwen Baike bot/求闻百科机器人
dpdata-ani
The dpdata plugin for ANI.
dpti
Python dpti for thermodynamics integration
fakegaussian
car2lammpsdata
car2lammpsdata
aimdfragmentation
AIMD Fragmentation Calculation
5 archived projects
lammps-manylinux-2-28 Archived
unoffical LAMMPS Molecular Dynamics Python package
deepmdbenchmark Archived
ecnunetwork Archived
A script to connect to Internet at East China Normal University (ECNU).
pbsmonitor Archived
A PBS job monitor powered by CoolQ.
kconmd Archived
Molecular dynamics (MD) simulations supported by k-Bags Convolutional Neural Network (kcon).
