biocheming Goto Github PK
Name: XU Ximing
Type: User
Company: Ocean University of China
Bio: [email protected]
Twitter: Biocheming
Blog: www.biocheming.cn
Name: XU Ximing
Type: User
Company: Ocean University of China
Bio: [email protected]
Twitter: Biocheming
Blog: www.biocheming.cn
💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
Automated Adaptive Absolute alchemical Free Energy calculator
Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.
iPTM, PAE, pLDDT viewer via local html for Alphafold server (AF3)
Predict multiple protein conformations using sequence clustering and AlphaFold2.
calculate the atom-wise free energy contribution using FEP
Local Interaction Score (LIS) Calculation from AlphaFold-Multimer (Enhanced Protein-Protein Interaction Discovery via AlphaFold-Multimer)
This is the code of paper "De Novo Molecular Generation via Connection-aware Motif Mining". Zijie Geng, Shufang Xie, Yingce Xia, Lijun Wu, Tao Qin, Jie Wang, Yongdong Zhang, Feng Wu, Tie-Yan Liu. ICLR 2023.
the simple alchemistry library
Molecular docking with Alchemical Interaction Grids
AlphaFold Meets Flow Matching for Generating Protein Ensembles
Open source code for AlphaFold.
Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch
AlphaLink: Integrating crosslinking MS data into OpenFold
:chart_with_upwards_trend: Application for statistical analysis and data visualization which can generate different types of publication quality 2D and 3D plots with extensive visual customization.
A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
Calculation of interatomic interactions in molecular structures
Calculation of interatomic interactions in molecular structures
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
Atom order in one molecule is made to match that in another
AutoDock for GPUs and other accelerators
AutoDock Vina
BAR and FEP method for free energy calculation
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy calculations on protein-ligand systems.
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.