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

TypeScript 46,114 2,274 Updated May 15, 2026

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

Jupyter Notebook 23 4 Updated Aug 29, 2024

Python scripts to convert CGenFF stream files to GROMACS format

Python 53 15 Updated Apr 27, 2026
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 3,375 302 Updated Feb 2, 2025

Systemic Evolutionary Chemical Space Exploration for Drug Discovery

Python 93 19 Updated Sep 2, 2025

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

Java 67 25 Updated Jun 12, 2026

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

Python 390 102 Updated Nov 15, 2025

A shadowsocks manager tool for multi user and traffic control.

JavaScript 4,097 1,492 Updated Feb 24, 2024

A native Linux filesystem for Microsoft OneDrive

Go 2,437 100 Updated Jan 31, 2026

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 7,014 319 Updated Jun 3, 2026

Office Tool Plus localization projects.

PowerShell 13,656 1,021 Updated Jun 10, 2026

The SSH connection manager to make your life easier.

Vala 552 38 Updated Mar 21, 2026

Cloud-based molecular simulations for everyone

Jupyter Notebook 493 132 Updated Jan 20, 2026
Python 374 113 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 14,499 1,046 Updated Jun 16, 2026

rdkit总结与实践

Jupyter Notebook 253 95 Updated Jul 12, 2020
Jupyter Notebook 66 31 Updated Feb 16, 2021

Platforms to predict reactivity for substitution reactions.

Python 22 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 32 9 Updated Apr 19, 2022

Wkhtmltopdf python wrapper to convert html to pdf

Python 2,042 326 Updated Oct 26, 2023

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

CSS 1,233 140 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 155 40 Updated Dec 11, 2020

A tool for retrosynthetic planning

Python 852 179 Updated Apr 13, 2026

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

Jupyter Notebook 25,534 3,729 Updated Jun 15, 2026
Jupyter Notebook 4 Updated Nov 10, 2020

Conversion tool for molecular simulations

Python 229 61 Updated Jan 22, 2026
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