yu-yang-sjtu Goto Github PK
Name: yu-yang
Type: User
Company: Shanghai Jiao Tong University
Location: Shang hai
Name: yu-yang
Type: User
Company: Shanghai Jiao Tong University
Location: Shang hai
This is a set of Matlab scripts that can plot MSD graph and calculate the diffusivity using XDATCAR files from VASP
A helpful 4-page data science cheatsheet to assist with exam reviews, interview prep, and anything in-between.
Phonon anharmonicity analysis from molecular dynamics
A conda-smithy repository for enumlib.
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
A generic INCAR file for the density functional theory package VASP
Lattice gas Monte Carlo simulation code
Materials graph network with 3-body interactions.
Practice and tutorial-style notebooks covering wide variety of machine learning techniques
机器学习算法python实现
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.
Machine Learning Introduction for a Material Scientist
Tools to compare neutron scattering data with phonon calculations (MD or Frozen Phonons)
A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and delocalization.
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
《利用Python进行数据分析·第2版》
rdfpy is a Python module for fast computation of 2D and 3D radial distribution functions.
sGDML - Reference implementation of the Symmetric Gradient Domain Machine Learning model
Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
Tools for analysing molecular dynamics simulations using site occupations
The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
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.