lizhenzhupearl Goto Github PK

ai4chemistry

The website of this jupterbook.

al-folio

A beautiful, simple, clean, and responsive Jekyll theme for academics

amset

Electronic transport properties from first-principles calculations

archer-gpu-course

ARCHER Introduction to GPU Programming

atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

bayesianoptimization

A Python implementation of global optimization with gaussian processes.

book_of_recipes

Repository for the exercises of the Grad School Git Course (https://github.com/ImperialCollegeLondon/grad_school_git_course)

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

chalcogenidegrowth

Thermodynamic modelling of chalcogenides phase equilibria

chemdataextractor-pv

Pipeline for automated extraction of chemical property information from scientific documents

combo

COMmon Bayesian Optimization

d2l-en

Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 400 universities from 60 countries including Stanford, MIT, Harvard, and Cambridge.

dashi

decay-chains

deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

first-principles-zr-grain-boundaries

Code to generate, analyse and visualise the atomistic structures used in the listed Zr GB manuscripts

gb_code

A grain boundary generation code

gbpy

GBpy is an opensource python package for calculating the geometric properties of interfaces in crystals.

grad_school_software_engineering_course

Essential Software Engineering for Researchers

intermediate_grad_school_git_course

Intermediate Git and GitHub for Effective Collaboration

lizhenzhupearl.github.io

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

machine_learning_refined

Notes, examples, and Python demos for the 2nd edition of the textbook "Machine Learning Refined" (published by Cambridge University Press).

macrodensity

Analyse VASP density & potential grids using python

mapidoc

Public repo for Materials API documentation

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

mctools

Quick tools for materials chemistry

mpbinder

Binder of Jupyter notebooks for queries of Materials Project data

mpinterfaces

Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

myga

nonrad

Implementation for computing nonradiative recombination rates in semiconductors