gmp007

2D_Elastic-Properties

First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures

smatool

Open-source first-principles computational toolkit for the efficient calculation of the strength of materials in 1D, 2D, and 3D materials at both zero and finite temperatures

elastool

A toolkit for automatic calculation and analysis of elastic constants

PropertyExtractor

Generative AI-based Software for Material Property and Database Generation

perovskene-materials

Frontiers in 2D Perovskene: Tailoring ABC3 Perovskite Structures for Next-Generation Material Applications

THICK2D

Computational toolkit for efficient prediction of the thickness of 2D materials

Machine-Learning-and-EDA-Exploratory-Data-Analysis-Projects

Optical-Modeling-of-Next-Gen-IB-Photovoltaics

Optical Modeling of Next-Gen IB Photovoltaics

datasets

A collection of datasets of ML problem solving

awesome-generative-ai-guide

A one stop repository for generative AI research updates, interview resources, notebooks and much more!

Custom-Design-of-2D-based-Materials

A pipeline to automate the creation 2D-based van der Waals materials and intercalating them with organic molecules

deepxde

A library for scientific machine learning and physics-informed learning

DynaPhoPy

Phonon anharmonicity analysis from molecular dynamics

email2phonenumbergmp

A OSINT tool to obtain a target's phone number just by having his email address

Hetero2D

Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!

KerGaNs

Various GANs with Keras (With diginmon generator as example)

kirigami

Deep Reinforcement Learning Assisted Kirigami Design of 2D Material

machine_learning_class

Machine Learning Class

machine_learning_refined

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

Mastering-Elasticsearch-7.0

Mastering Elasticsearch 7.0, published by Packt

mechviz

metapub

Python toolkit for NCBI metadata (via eutils) and pubmed article text mining -- official primary repo.

mstar

Effective mass calculation with DFT

Multifidelity_GPDNN

openai-cookbook

Examples and guides for using the OpenAI API

Optical-Modeling

Optical Modeling (Transfer Matrix): Modeling the light propogation, light absorption, transmission, and reflection in a multi-layer thin-film stack and current in solar cells.

pydata-book

Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media

TensoIR

[CVPR 2023] TensoIR: Tensorial Inverse Rendering

V2DB

V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.

wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation: