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Open source code for AlphaFold.
The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.
好的CADD教程,资源总结
binding free energy estimator 2
A deep learning package for many-body potential energy representation and molecular dynamics
Ligand Binding Site detection using Deep Learning
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, several modifications are introduced to PUResNet program. The pose sampling part is similar as AutoDock Vina combined with a number of modifications.
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
gmx_MMPBSA is a new tool aid to perform end-state free energy calculations based on AMBER's MMPBSA.py with GROMACS files.
NewBingGoGo java实现的魔法链接服务。
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Packmol
PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
AI-powered Virtual Screening
The official sources for the RDKit library
Temperature generator for Replica Exchange MD simulations
This package contains deep learning models and related scripts for RoseTTAFold
Therapeutics Data Commons: Machine Learning Datasets for Therapeutics
An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculation.
implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
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.