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🆙 Upscayl - #1 Free and Open Source AI Image Upscaler for Linux, MacOS and Windows.

TypeScript 40,963 1,918 Updated Oct 28, 2025

Computation of the drug-target relative residence times from RAMD simulations

Jupyter Notebook 18 3 Updated Aug 29, 2024

Python scripts to convert CGenFF stream files to GROMACS format

Python 43 9 Updated Aug 2, 2025
Python 6 2 Updated Jan 23, 2024

Mirror for our work implementing the Böttcher (2016 https://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00723 ) complexity function via RDKit

Jupyter Notebook 6 Updated Dec 17, 2020

Lightweight CLI download accelerator

C 3,260 290 Updated Feb 2, 2025

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

Python 86 19 Updated Sep 2, 2025

A feeble attempt at molecular recognition (in the literal sense)

Java 61 23 Updated Dec 13, 2024

A collection of notes, codes, and pictures I have related to computer vision

Python 383 100 Updated Jan 25, 2024

A shadowsocks manager tool for multi user and traffic control.

JavaScript 4,115 1,515 Updated Feb 24, 2024

KNIME Analytics Platform - SDK Setup

194 77 Updated Nov 1, 2025

A native Linux filesystem for Microsoft OneDrive

Go 2,291 93 Updated Oct 30, 2025

A Zotero add-on to retrive CNKI meta data. 一个简单的Zotero 插件,用于识别中文元数据

TypeScript 6,455 302 Updated Nov 3, 2025

Office Tool Plus localization projects.

PowerShell 12,154 979 Updated Oct 21, 2025

The SSH connection manager to make your life easier.

Vala 555 39 Updated Jul 10, 2025

Cloud-based molecular simulations for everyone

Jupyter Notebook 456 126 Updated Oct 28, 2025
Python 363 112 Updated May 24, 2025

Zotero is a free, easy-to-use tool to help you collect, organize, annotate, cite, and share your research sources.

JavaScript 12,749 895 Updated Nov 3, 2025

rdkit总结与实践

Jupyter Notebook 243 96 Updated Jul 12, 2020
Jupyter Notebook 65 31 Updated Feb 16, 2021

Platforms to predict reactivity for substitution reactions.

Python 20 8 Updated May 8, 2021

calculate npr values of a chemical library and plot their distribution

Jupyter Notebook 2 Updated Oct 14, 2021

Chemical reaction data cleaning

Python 30 9 Updated Apr 19, 2022

Wkhtmltopdf python wrapper to convert html to pdf

Python 2,030 332 Updated Oct 26, 2023

Word processor in your browser using HTML and CSS (for invoices, legal notices, etc.)

CSS 1,234 142 Updated Mar 27, 2022

尝试用Django3重写的我的Hexo博客,使用的前端主题是 Matery。

JavaScript 153 40 Updated Dec 11, 2020

A tool for retrosynthetic planning

Python 734 155 Updated Jul 3, 2025

A game theoretic approach to explain the output of any machine learning model.

Jupyter Notebook 24,662 3,441 Updated Nov 4, 2025
Jupyter Notebook 4 Updated Nov 10, 2020
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