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3d

learn babylonjs

3dstructgen

3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.

cdx-mol

conncetor between rdkit mols and *.cdxml layout

chatgpt

一键拥有你自己的 ChatGPT 网页服务。 One-Click to deploy your own ChatGPT web UI.

descriptastorus

Descriptor computation(chemistry) and (optional) storage for machine learning

dft-book

A book on modeling materials using VASP, ase and vasp

facedetection-dsfd

imageprocessing100wen

「画像処理100本ノック」中文版本！为图像处理初学者设计的 100 个问题。

lammps

Public development project of the LAMMPS MD software package

legacy-lite

An easy to deploy, cut-down version of the old MolView.org

lobe-chat

🤖 Lobe Chat - an open-source, high-performance chatbot framework that supports speech synthesis, multimodal, and extensible Function Call plugin system. Supports one-click free deployment of your private ChatGPT/LLM web application.

magresview-2

MagresView 2.0 - NMR crystallography visualisation app

minimal_reproduction_unimol

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

mol-kit

generate mol config and structure opt by xtb

molecule-slide-generator

Generate images of molecules and their properties for use in presentations and reports

molscribe

Robust Molecular Structure Recognition with Image-to-Graph Generation

nuxt_learn

Created with StackBlitz ⚡️

nuxt_starter

init

one-api

OpenAI 接口管理 & 分发系统，支持 Azure、Anthropic Claude、Google PaLM 2 & Gemini、智谱 ChatGLM、百度文心一言、讯飞星火认知、阿里通义千问、360 智脑以及腾讯混元，可用于二次分发管理 key，仅单可执行文件，已打包好 Docker 镜像，一键部署，开箱即用. OpenAI key management & redistribution system, using a single API for all LLMs, and features an English UI.

openai-proxy-private

One-click deployment of the ChatGPT private proxy, power by Next.js

opencv

Open Source Computer Vision Library

opencv-python-tutorial

OpenCV-Python图像处理教程

pycdxml

Tools to automatically convert and proccess cdx and cdxml files in python

qc_tools

This small repository provides functionality for calculating the charge transfer integrals between two molecules.

quantum

Hybrid Quantum-Classical Machine Learning in TensorFlow

real-live

A cross-platform network media aggregation application that supports online viewing or listening of live video, HD TV and radio stations. 一个跨平台的网络媒体聚合应用，支持直播视频，高清电视和广播电台的在线观看或收听。

reinvent4

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

shangchien.github.io

sketchem

Chemical graphical editor web application