malik-ust Goto Github PK

academicpages.github.io

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

ase-espresso

ase interface for Quantum Espresso

atomate

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

atomate2

atomate2 is a library of computational materials science workflows

bayesianopt4dftu

bayesianoptimization

A Python implementation of global optimization with gaussian processes.

cathub

Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.

catlearn

A machine learning environment for atomic-scale modeling in surface science and catalysis.

catmap

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

custodian

A simple, robust and flexible just-in-time job management framework in Python.

data_analytics_for_engineers

Public portion of COE 3803 "Data Analytics for Engineers" course at Georgia Tech.

data_science_algorithms

A personal project to understand and implement basic data science algorithms

deep-learning-coursera

Deep Learning Specialization by Andrew Ng on Coursera.

deeplearning-models

A collection of various deep learning architectures, models, and tips

deeplearningzerotoall

TensorFlow Basic Tutorial Labs

dft-book

A book on modeling materials using VASP, ase and vasp

effective_python_notebook

fastmlp

Fast batch fully connected MLP algorithm for classification using numpy memmap

fireworks

The Fireworks Workflow Management Repo.

gaspy

github-cheat-sheet

A list of cool features of Git and GitHub.

gpy

Gaussian processes framework in python

imbalanced-learn

A Python Package to Tackle the Curse of Imbalanced Datasets in Machine Learning

jupyter-book

Build interactive, publication-quality documents from Jupyter Notebooks

malikcv

mkin4py

A general linear model for microkinetic catalytic systems.

ml-in-chemistry-101

The course materials for "Machine Learning in Chemistry 101"

mof_screen

High-throughput DFT of MOFs using ASE/VASP

pymatgen

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.

pythondatasciencehandbook

Python Data Science Handbook: full text in Jupyter Notebooks