Post-processing scripts for CP2K calculations

基于python的PLUMED的可视化界面开发

2nd generation of the Deep Potential GENerator

Inference Specialization

Roo Code gives you a whole dev team of AI agents in your code editor.

Your Live2D desktop assistant powered by LLM! Available for both Windows and MacOS, it senses your screen, retrieves clipboard content, and responds to voice commands with a unique voice. Featuring…

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

Render Gaussian cube files using Blender and Python

Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.