wushaowen1992 Goto Github PK
Name: wushaowen1992
Type: User
Name: wushaowen1992
Type: User
3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
Tools that help high-throughput protein-ligand docking in batch mode using AutoDock-GPU.
Jupyter notebooks that support my graph data science blog posts at https://bratanic-tomaz.medium.com/
Neural networks for cryo-EM reconstruction
UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins.
Official repository for the Deep Docking protocol
tutorials made for biologists to learn deep learning
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A list of deep learning implementations in biology
Python package for graph neural networks in chemistry and biology
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
Software for detecting non-covalent interactions formed within complexes of nucleic acids with ligands.
Simple package for fast molecular similarity searches
Tutorials for Machine Learning on Graphs
Trusted force field files for gromacs
HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble refinement to fit a structrual ensemble to the experimental data
Detects hotspot regions for somatic mutations in 3D protein structures
3D hotspot mutation proximity analysis tool
A knowledge-based method for determining small molecule binding "hotspots".
Google Colab Tutorials for IBM3202
A curated list of awesome knowledge graph tutorials, projects and communities.
Insightful Tutorials and Papers about Knowledge Graphs
🧠💬 Articles I wrote about machine learning, archived from MachineCurve.com.
Cloud-based molecular simulations for everyone
Tandem Mass Spectrum Prediction with Graph Transformers
Metabolome Annotation Workflow
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.