hnlab Goto Github PK
Name: Niu Huang's Lab
Type: Organization
Location: China
Name: Niu Huang's Lab
Type: Organization
Location: China
Auto-DUD-E is a website for a test set of ligands & decoys for molecular docking.
AutoDock Vina
Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets
Convert DB2 file back to Mol2. That could be useful in db2 development or other application.
A deep learning package for many-body potential energy representation and molecular dynamics
Python package for graph neural networks in chemistry and biology
Manipulating DeePMD-kit, VASP, LAMMPS data formats.
The deep potential generator
Fusion models for Atomic and molecular STructures (FAST)
fetch PDB database information
Experimental and calculated small molecule hydration free energies
A deep learning framework for molecular docking
Dock organometallic compounds to proteins/DNA/biomolecules
Open Drug Discovery Toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Python package wrapping the DOCK Fortran program and providing several tools built on top of it.
Accurately speed up AutoDock Vina
The official sources for the RDKit library
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM
some scripts
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.