A deep learning package for many-body potential energy representation and molecular dynamics
C++ - Released: 12 Dec 2017 - 1,353
an automatic reaction network generator for reactive molecular dynamics simulation
Python - Released: 06 Apr 2018 - 65
Unoffical Node.js wheels, `pip install nodejs-wheel`
Python - Released: 02 Oct 2023 - 4
A Python script to run Gaussian automatically and in batches.
Python - Released: 08 Sep 2018 - 7
Molecular dynamics (MD) simulations supported by k-Bags Convolutional Neural Network (kcon).
Python - Released: 18 Jul 2018 - 3
[![NPM version](https//www.npmjs.com/package/hexo-tag-publications) [![NPM Downloads](https://img.shields.io/npm/dy/hexo-tag-publications?logo=npm&style=flat-square
JavaScript - Released: 09 Feb 2021 - 4
Convert car generated by Material Studio to lammps data file.
Python - Released: 13 May 2019 - 6
A PBS job monitor powered by CoolQ, which can send states of Portable Batch System to QQ.
Python - Released: 07 Aug 2018 - 1
LAMMPS unofficial Python wheels on PyPi, `pip install lammps`
Python - Released: 12 Dec 2022 - 2
A tool to generate BibTeX files from given identifiers (DOI, PMID, or arXiv ID).
Python - Released: 16 May 2024 - 0
YiQu Wechat Mini Program, which is a social platforms on Wechat for students in East China Normal University and Shanghai Jiao Tong University.
JavaScript - Released: 06 Jun 2018 - 0
ShenXuanDaShenZhouYuZhong hero package for QSanguosha. Move files to main directory of QSanguosha-For-Hegemony.
Lua - Released: 17 Nov 2014 - 0