30 projects
deepmodeling-sphinx
Sphinx extension for DeepModeling projects.
dpdispatcher
Generate HPC scheduler systems jobs input scripts, submit these scripts to HPC systems, and poke until they finish
lammps
unoffical LAMMPS Molecular Dynamics Python package
zhihubackup
Backup your Zhihu contents before quitting Zhihu.
nodejs-wheel-binaries
unoffical Node.js package
nodejs-wheel
unoffical Node.js package
openbabel-wheel
An unofficial repository to distribute OpenBabel prebuilt wheels through Pypi..
mddatasetbuilder
A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS trajectories automatically.
deepmd-kit-cu11
A deep learning package for many-body potential energy representation and molecular dynamics
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
wenxian
Generate references.
dpdata-qdpi
The dpdata plugin for QDPi.
reacnetgenerator
ReacNetGenerator: An automatic reaction network generator for reactive molecular dynamics simulation.
replace-pip-with-uv-pip
Replace pip with uv pip.
dpgen
DP-GEN: The deep potential generator
comparemol
Compare if two molecules are equivalent.
dpgui
A web-based GUI for user inputs.
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
lammps-manylinux-2-28
unoffical LAMMPS Molecular Dynamics Python package
dpdata-ani
The dpdata plugin for ANI.
dpti
Python dpti for thermodynamics integration
fakegaussian
deepmdbenchmark
ecnunetwork
A script to connect to Internet at East China Normal University (ECNU).
car2lammpsdata
car2lammpsdata
aimdfragmentation
AIMD Fragmentation Calculation
pbsmonitor
A PBS job monitor powered by CoolQ.
kconmd
Molecular dynamics (MD) simulations supported by k-Bags Convolutional Neural Network (kcon).