30 projects
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.
nodejs-wheel-binaries
unoffical Node.js package
nodejs-wheel
unoffical Node.js package
dpdata-qdpi
The dpdata plugin for QDPi.
dpdispatcher
Generate HPC scheduler systems jobs input scripts, submit these scripts to HPC systems, and poke until they finish
mddatasetbuilder
A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS trajectories automatically.
zhihubackup
Backup your Zhihu contents before quitting Zhihu.
deepmodeling-sphinx
Sphinx extension for DeepModeling projects.
lammps
unoffical LAMMPS Molecular Dynamics Python package
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.
openbabel-wheel
An unofficial repository to distribute OpenBabel prebuilt wheels through Pypi..
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).
