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Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polyamide membrane separation layer. Currently it can use trimesi…
Database of optical constants
🚀 Curated collection of Amazing Python scripts from Basics to Advance with automation task scripts.
《开源大模型食用指南》针对中国宝宝量身打造的基于Linux环境快速微调（全参数/Lora）、部署国内外开源大模型（LLM）/多模态大模型（MLLM）教程
Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"
A feature-rich command-line audio/video downloader
A pure Unix shell script implementing ACME client protocol
A high-quality tool for convert PDF to Markdown and JSON.一站式开源高质量数据提取工具，将PDF转换成Markdown和JSON格式。
Message Passing Neural Networks for Molecule Property Prediction
DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such that the resulting extension is also highly complementary to th…
Neural Networks: Zero to Hero
[Unofficial] qBittorrent Enhanced, based on qBittorrent
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
ChemGCN is a graph convolutional network to predict water solubilities of small molecules.
A single page website template, designed for CIOL (Computational Intelligence and Operations Lab) members to showcase their work, achievements, and publications.
This is a simple static research lab website template which can be used by college students / professors.
An easy-to-use, flexible website template for labs.
An opinionated list of awesome Python frameworks, libraries, software and resources.
💡 Use Docker Compose to deploy Xiaoya services in a more elegant way, supports one-click deployment of Alist + Emby + Jellyfin, full-platform support, Linux/Windows/Mac/Synology, X86/Arm architecture
使用Github Action将国外的Docker镜像转存到阿里云私有仓库，供国内服务器使用，免费易用
这个项目是一个基于 Cloudflare Workers 的 Docker 镜像代理工具。它能够中转对 Docker 官方镜像仓库的请求，解决一些访问限制和加速访问的问题。
🔥 Turn entire websites into LLM-ready markdown or structured data. Scrape, crawl and extract with a single API.
🧲 A modern BitTorrent indexer, powered by Bitmagnet - 一个更现代的磁力搜索列表程序，由 Bitmagnet 强力驱动
This is the 1st part of project PPP-Prediction Properties of Polymers, and this work predicts Tg of polyimides using GNN, while more than 8,000,000 Tg data being predicted.
《李宏毅深度学习教程》（李宏毅老师推荐👍，苹果书🍎），PDF下载地址：https://github.com/datawhalechina/leedl-tutorial/releases
Modern desktop RSS reader built with Electron, React, and Fluent UI