yushanzi Goto Github PK
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AutoDock Vina
Integrated physics-based and ligand-based modeling.
Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package
Official repository for the Deep Docking protocol
A deep learning package for many-body potential energy representation and molecular dynamics
DFTB+ general package for performing fast atomistic simulations
Diffusion model based protein-ligand flexible docking method
Filter-it is a program for filtering out molecules with unwanted properties.
Parameter files for the GBSA implicit solvation model
an effective tool for the docking of metalloproteins
Deep Learning for humans
Interfacing RDKit and AutoDock
Data and analysis scripts for understanding molecular entropies, including conformer flexibility
Code samples for my book "Neural Networks and Deep Learning"
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Parameter/topology editor and molecular simulator
Data set of protein-ligand complexes with reliable experimental structures and affinities
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
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.