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Name: kiwi
Type: User
Name: kiwi
Type: User
A matlab implementation of density functional theory, for demonstrative purpose
This program computes the molecular dipole moment and polarisability for ionic aqueous solutions.
用diango开发的全新的shadowsocks网络面板
Repository for the DoSPT code
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
A workflow to generate deep potential force field
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
DScribe is a python package for creating machine learning descriptors for atomistic systems.
some scripts for analysis of MD and CADD. And some tutorials.
A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).
eChem: Jupyter book on theoretical chemistry
A ready-to-use energy diagram drawing program
Generate and predict molecular electron densities with Euclidean Neural Networks
ASE interface for fully constant potential with VASP
A script depending on VASP output for calculating Fermi-Softness, written by a senior undergraduate.
Active Learning for Machine Learning Potentials
⌨《Fortran语言实战》是一份由Fortran爱好者(Fortran-Fans)社区驱动的Fortran语言编程实战教程。
FreeSASA Python Module
:cherry_blossom: A command-line fuzzy finder
Regressions performed on databases created by GASpy. It is intended to be used as a submodule of GASpy.
Gromacs to Lammps simulation converter
ab-initio nonadiabatic molecular dynamics program
Supporting information of the manuscript of HTP of Alloy with Peroxidase-like Activity
A mathematical look on density-functional theory and DFTK
A Python program for excited state tracking during geometry optimization.
Constant potential method in LAMMPS
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.