zhangch315

BAT.py

The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems, compatible with the AMBER and OpenMM simulation packages.

H2_SurfaceMatch

p2rank

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

dive_into_deep_learning

✔️李沐 【动手学深度学习】课程学习笔记：使用pycharm编程，基于pytorch框架实现。

protocolGromacs

Automatic gromacs protocol from preparation to production with ligand parametrization through

NoMoreWalls

自动抓取合并互联网上的公开节点。

V2RayAggregator

Collect Lots of Shadowsocks, ShadowsocksR, Trojan, Vmess from Public Sources & Filter Best Nodes By Speed

CloudflareSpeedTest

🌩「自选优选 IP」测试 Cloudflare CDN 延迟和速度，获取最快 IP ！当然也支持其他 CDN / 网站 IP ~

v2ray-worker-sub

A Cloudflare's Worker script to gather free v2ray configs and mix them with worker in order to make them work over filtered networks.

haoel.github.io

vinaGPU

Highly parallel molecular docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU

QuickVina2-GPU

A heterogeneous OpenCL implementation of QuickVina2

Vina-GPU-2.0

Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.

Vina-GPU-CUDA

A CUDA implementation of Vina-GPU

Vina-GPU

A heterogeneous OpenCL implementation of AutoDock Vina

openai-translator

基于 ChatGPT API 的划词翻译浏览器插件和跨平台桌面端应用 - Browser extension and cross-platform desktop application for translation based on ChatGPT API.

SwinOCSR

DECIMER-Image_Transformer

DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer

nvnmd

KeymouseGo

类似按键精灵的鼠标键盘录制和自动化操作 模拟点击和键入 | automate mouse clicks and keyboard input

AutoDock-Vina

AutoDock Vina

pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

cheminv

Web-Based Chemical Inventory System

hssp

Create DSSP and HSSP files

OpenWHU

武汉大学课程资料整理-WHU课代表计划

SJTU-Courses

上海交通大学课程资料分享

libpku

贵校课程资料民间整理

mxfold2

MXfold2: RNA secondary structure prediction using deep learning with thermodynamic integration

haddock3

Official repo of the modular BioExcel version of HADDOCK

SBMolGen