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2018springproblems

Homework for 2018 Spring semester

2020-10-cp2k_qmmm_intro

Course materials for "Practical Introduction to QM/MM using CP2K for biomolecular modelling" (https://www.archer2.ac.uk/training/courses/201013-cp2k)

3d-smge

A Pipeline for Molecules Generate and Evaluate based on Scaffolds

abchemoinformatics

:ab: ABC of chemoinformatics

abs-guide

Source code of Advanced Bash-Scripting Guide(Revision 10)

aimnet

Atoms In Molecules Neural Network Potential

alchemlyb

the simple alchemistry library

analysis_and_utilities

Tools for analysis

ase

Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase

atom-openmm

OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method

auto3d_pkg

auto_martini

Automatic MARTINI parametrization of small organic molecules

autodock-vina

AutoDock Vina

autofep

automoldesigner

The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.

autosynroute

awesome-bioinformatics

A curated list of awesome Bioinformatics libraries and software.

awesome-c-cn

C 资源大全中文版，包括了：构建系统、编译器、数据库、加密、初中高的教程/指南、书籍、库等。

awesome-cheminformatics

A curated list of Cheminformatics libraries and software.

awesome-cpp-cn

C++ 资源大全中文版，标准库、Web应用框架、人工智能、数据库、图片处理、机器学习、日志、代码分析等

awesome-cryoem

A collaborative list of awesome CryoEM (Cryo Electron Microscopy) resources.

awesome-go-cn

Go 资源大全中文版， 内容包括：Web框架、模板引擎、表单、身份认证、数据库、ORM框架、图片处理、文本处理、自然语言处理、机器学习、日志、代码分析、教程和（电子）书等。

awesome-gpt4

A curated list of prompts, tools, and resources regarding the GPT-4 language model.

awesome-machine-learning-cn

机器学习资源大全中文版，包括机器学习领域的框架、库以及软件

awesome-programming-books

经典编程书籍大全，涵盖：计算机系统与网络、系统架构、算法与数据结构、前端开发、后端开发、移动开发、数据库、测试、项目与团队、程序员职业修炼、求职面试等

awesome-python-books

如果有人让你推荐 Python 技术书，请让他看这个列表

awesome-python-cn

Python资源大全中文版，包括：Web框架、网络爬虫、模板引擎、数据库、数据可视化、图片处理等，由伯乐在线持续更新。

b3db

A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.

bigdata_ai_drugdiscovery

A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks.

biograkn

BioGrakn Knowledge Graph