wangvei Goto Github PK

100-days-of-ml-code

100-Days-Of-ML-Code中文版

2020_webinar

3dmol.js

WebGL accelerated JavaScript molecular graphics library

aachen_introduction_dftk

A short lecture introducing plane-wave DFT methods and DFTK

abinitio-methods

Lecture materials for: Ab initio methods in solid state physics.

abtem

ab initio Transmission Electron Microscopy

academicpages.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

aflow

Automatic - FLOW for Materials Discovery

aiida-phonopy-directfork

A direct fork of aiida-phonopy

aiida-tutorials

AiiDA tutorials web site

aiida-vasp

A plugin to AiiDA for running simulations with VASP

aiida-wannier90

AiiDA plugin for the Wannier90 code

aiida_core

The official repository for the AiiDA code

ailearning

AiLearning: 机器学习 - MachineLearning - ML、深度学习 - DeepLearning - DL、自然语言处理 NLP

aimd

aimd_extractor

Tool for extracting MSD, calculating activation energy, conductivities and diffusivities from VASP AIMD runs

aimsgb

Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)

ammcr

Ab initio model for mobility and conductivity calculation by using Rode Algorithm

amp2

amset

Electronic transport properties from first-principles calculations

anaddb_irreps

A simple wrapper of the phonopy irreps module for finding irreduciple representations of the phonon modes in anaddb output

arpes

Mirror of PyARPES (gitlab/lanzara-group/python-arpes) the open source ARPES analysis framework

arups_from_vasp

Fortran code which simulates angle-resolved ultra-violet photoemission spectroscopy (ARUPS) intensity maps based on initial states from a VASP calculation (WAVECAR-file).

ase-tutorial-symmetry

Tutorial notebook for symmetry features in ASE

ase_tools

Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.

atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

autogr

Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density

automatminer

An automatic engine for predicting materials properties.

awesome-awesomeness

A curated list of awesome awesomeness

awesome-c

Continuing the development of awesome-c list on GitHub