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ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
XMU Chenglab Wiki
A Windows/macOS GUI based on Clash
This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(r)) and Plane Angle Distribution (PAD).
Quantum chemistry and solid state physics software package
Analysis tools for CP2K and other simulation software
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
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
The deep potential generator
Microkinetic models for electrochemical CO stripping and hydrogen oxidation
Public development project of the LAMMPS MD software package
Multistate Bennett Acceptance Ratio
Object-oriented microkinetic modeling package using ASE
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Inputs and hand-outs for a PIMD tutorial based on i-PI
New PIMD analysis program
Fast and flexible physics-based battery models in Python
Python computations in science and engineering
a python package for the interfacial analysis of molecular simulations
Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
Functions for analyzing molecular simulations according to scattering experiments
Python particle tracking toolkit
Tutorials on CP2K calculations
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.