Stars
A natural language interface for computers
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
NWChem: Open Source High-Performance Computational Chemistry
Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)
Interactive browser visualizations for materials science: periodic tables, 3d crystal structures, MD trajectories, heatmaps, scatter plots, histograms.
An interactive structure/property explorer for materials and molecules
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.
Software for generating machine-learning interatomic potentials for LAMMPS
Differentiable, Hardware Accelerated, Molecular Dynamics
Natural language computational chemistry command line interface.
A collection of Neural Network Models for chemistry
jobflow is a library for writing computational workflows.
Interactive interface for preparing and analyzing files for generation of special quasirandom structures (SQS) using ATAT mcsqs
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…
TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained …
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
Open-AutoGLM混合方案 - 在手机上运行AI自动化，无需电脑
Multi-lingual large voice generation model, providing inference, training and deployment full-stack ability.
GLM-4.6V/4.5V/4.1V-Thinking: Towards Versatile Multimodal Reasoning with Scalable Reinforcement Learning
A collection of crystal structures from first-principles simulations
Financial data platform for analysts, quants and AI agents.
UnifyPy是一个强大的自动化解决方案，能将任何Python项目打包成跨平台的独立可执行文件和安装程序。支持Windows、macOS和Linux三大主流操作系统，提供统一的接口和丰富的配置选项。
本项目为xiaozhi-esp32提供后端服务，帮助您快速搭建ESP32设备控制服务器。Backend service for xiaozhi-esp32, helps you quickly build an ESP32 device control server.
实时STT，连接OpenAI接口/智谱AI（流式LLM）和GPT-SOVITS/Edge-TTS，通过网页的方式，进行跨网络的服务调用，实现实时对话的效果