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GPT Meet Zotero.

Collective variables library for molecular simulation and analysis programs

Powerful AI Client

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

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)

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.

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

Classical molecular simulation code

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

CrunchFlow

Classical network (extraction and) flow simulation

classical network flow simulation code written in python

Packmol - Initial configurations for molecular dynamics simulations

an automatic reaction network generator for reactive molecular dynamics simulation

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…

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

Git for Palabos http://www.palabos.org/

Git for Palabos http://www.palabos.org/

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

On-the-fly calculation of Transport Properties

Bilibili Downloader. 一个命令行式哔哩哔哩下载器.

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

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

C++ code for Markov Chain Monte Carlo simulations in the grand canonical ensemble.