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Turn clang-tidy warnings and fixes to comments in your pull request
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Automatic Differentiation Multipole Moment Molecular Forcefield
AI for Science
A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).
APEX: Alloy Properties EXplorer using simulations
Workflow engine for Kubernetes
DeepModeling dargs arguments generation
DeepModeling Blog
DeepModeling community content
Compare whether two molecules are equivalent.
Space Group Informed Transformer for Crystalline Materials Generation
Argument processing for the deep modeling project.
A deep learning empowered open-source platform for reacting flow simulations
Deep neural networks for density functional theory Hamiltonian.
a package for developing machine learning-based chemically accurate energy and density functional models
A deep learning package for many-body potential energy representation and molecular dynamics
Conda recipes for DeePMD-kit. (Moved to https://github.com/deepmd-kit-recipes)
DeepModeling projects
The official website of DeepModeling
Sphinx extension for DeepModeling projects
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
The home page of DeepModeling documentation.
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
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.