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序列分析并通过Matplotlib库绘制序列的二级结构特征图
Code for the cheminformatics analysis
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
Personal repository for storing notebooks used for MD Analysis.
generates low-energy conformers from SMILES/SDF: 3D generation
MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning
Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS
A Collection of Scripts for Computational Chemistry
include_cal-fingerprints
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
a pairwise deep learning to predict property differences between two molecules.
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
Dock
some scripts for analysis of MD and CADD. And some tutorials.
An AI-based workflow for drug lead optimization
Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including virtual screening, target identification, and QSAR.
getcontacts throughout MD Simulation
molecular dynamics simulation and analysis. 分子动力学模拟和分析。
xpm2txt_Free Energy Landscape 2D or 3D charts using GROMACS
gmx_MMPBSA
For the purpose of post progressing of MD carried by gromacs
tools for GROMACS
Generating, analyzing and visualizing more than 180 representations for biological sequences, 3D structures and ligands.
基于自定义规则的番剧采集APP,支持流媒体在线观看,支持弹幕。
LazyPredict help build a lot of basic models without much code and helps understand which models works better without any parameter tuning
Classification and Regression with lazypredict
TensorFlow实战,使用LSTM预测彩票
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.