asif-iqbal-bhatti Goto Github PK

asifiqbal_cv

Asif Iqbal Resume

atomman

Atomistic Manipulation Toolkit

atomsk

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

catkit

General purpose tools for high-throughput catalysis

catmap

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

crystal_deformation_strainvsenergy

Deforming crystal (lagrangian strain) for VASP

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

dftbplus

DFTB+ general package for performing fast atomistic simulations

dftd4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

elastic

A module for ASE for elastic constants calculation.

elastool

A toolkit for automatic calculation and analysis of elastic constants

excitingscripts

fortran-code-to-solve-schrodinger-equation

Fortran code to solve Schrodinger equation: Solution to Hydrogen & Helium atom by INTEL LAPACK subroutines

fortran-vs-python

A cheatsheet of Fortran syntax for Python programmers

gdis

A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures

graphene

Simple scripts to generate Graphene structure

hands-on-machine-learning-with-scikit-learn-keras-and-tensorflow

Notes & exercise solutions of Part I from the book: "Hands-On ML with Scikit-Learn, Keras & TensorFlow: Concepts, Tools, and Techniques to Build Intelligent Systems" by Aurelien Geron

high-entropy-alloys

Generate random alloys and compute various properties

introduction-to-python-for-data-sciences

Course of Introduction to Python for Data Sciences developed at Univ. Grenoble Alpes.

inversehullweb

Create Inverse Hull Webs of materials systems

madelung-potential

calculate madelung potential from VASP CONTCAR file

manim

Animation engine for explanatory math videos

matador

⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.

matgenb

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

matgl

Graph deep learning library for materials

matminer

Data mining for materials science

matscipy

Materials science with Python at the atomic-scale

mechelastic

A Python library to calculate elastic properties of materials.

megnet

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

metal-organic-framework

A code to generate MOFs structure with a specific structure design