A deep learning package for many-body potential energy representation and molecular dynamics

Powerful AI Client

an automatic reaction network generator for reactive molecular dynamics simulation

Collective variables library for molecular simulation and analysis programs

Packmol - Initial configurations for molecular dynamics simulations

DuMux: an open-source simulator for flow and transport processes in porous media (repository mirrored from https://git.iws.uni-stuttgart.de/dumux-repositories/dumux.git)

This software is a general purpose classical simulation package. Online documentation available at:

Free ChatGPT&DeepSeek API Key，免费ChatGPT&DeepSeek API。免费接入DeepSeek API和GPT4 API，支持 gpt | deepseek | claude | gemini | grok 等排名靠前的常用大模型。

Thermopack is a thermodynamic model library for fluid properties and PVT calculations

Sample codes for my book on molecular dynamics simulation

Bilibili Downloader. 一个命令行式哔哩哔哩下载器.

Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.

GPT Meet Zotero.

CrunchFlow

classical network flow simulation code written in python

Classical network (extraction and) flow simulation

Some scripting tools used for lammps input or output

Equation of state for natural gas (several varieties) and mixtures with hydrogen. Also Moody plots for the calculation of the friction factor in rough pipes.

Classical molecular simulation code

Python package to construct free energy profiles from biased molecular simulation data using both log-likelihood maximization and self-consistent iteration approaches.

On-the-fly calculation of Transport Properties

The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)

official release of the LIGGGHTS® DEM software by DCS Computing. For further info, forums, and bug reports, please visit http://www.cfdem.com. For the DEM software Aspherix® by DCS Computing that r…

A deep learning package for many-body potential energy representation and molecular dynamics

Library for performing multiphase simulations (based on the Shan-Chen model) in complicated geometries (i.e. porous media 3D images)

Coupling between the Lattice-Boltzmann code Palabos and the DEM code LIGGGHTS