Shibu778

Shibu Meher's repositories

structure2symmetry

A python command line interface to obtain symmetry information from structure file.

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Density-Functional-Theory

Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes

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notes

This repository is for storing notes for my reference.

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matgl

Graph deep learning library for materials

Language:PythonBSD-3-Clause200

MPInterfaces

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

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espresso

Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

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Fortran-MOOC

Material related to the PRACE MOOC on Fortran programming

Language:FortranCC-BY-4.0100

megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

Language:Jupyter NotebookBSD-3-Clause100

MyCodeLibrary

Here I put all the codes made by me and taken from others for my reference.

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py4vasp

Python interface for VASP

Language:PythonApache-2.0100

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.

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