mahdidavari Goto Github PK

aimd

ase_ani

ANI-1 neural net potential with python interface (ASE)

atomate

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

citc

Citrine Informatics Technical Challenge

concrete_nlp_tutorial

An NLP workshop about concrete solutions to real problems

cuda_tutorial

custodian

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

data-science-portfolio

Repository containing portfolio of data science projects completed by me for academic, self learning, and hobby purposes. Presented in the form of iPython Notebooks, and Python codes.

fireworks

The Fireworks Workflow Management Repo.

fpte

The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not limited to stress-strain method for getting second order elastic tensors using DFT package VASP as well as, ab initio molecular dynamic method for temperature dependent elastic constatns. The package is free and open-source, available on Github.

jekyll

:globe_with_meridians: Jekyll is a blog-aware, static site generator in Ruby

jupyter-ai

A generative AI extension for JupyterLab

laughing-octo-avenger

Teaching repo for StonyBrook SWC.

learnopencv

Learn OpenCV : C++ and Python Examples

m1pro_testing

Tensorflow testing on M1Pro MBP

magpie

Magpie contains a number of scripts for running Big Data software in HPC environments, including Hadoop and Spark. There is support for Lustre, Slurm, Moab, Torque. and LSF.

matminer

data mining for Materials Science

oh-my-zsh

A delightful community-driven (with 1,000+ contributors) framework for managing your zsh configuration. Includes 200+ optional plugins (rails, git, OSX, hub, capistrano, brew, ant, php, python, etc), over 140 themes to spice up your morning, and an auto-update tool so that makes it easy to keep up with the latest updates from the community.

prison-admissions

U.S. state prison admissions by county

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.

python-getting-started

Getting Started with Python on Heroku

python_template

A starting template for Python programs

results_analysis

some small codes to analyze results

sicm2-software-summer-school-2014

Git Repo for the SICM2 Summer School 2014

summer-school-materials

Summer school and workshop on parallel computing funded by ECP, MolSSI and others - Summer school materials

vasp

Python program to evaluate off-resonance Raman activity using VASP code as the backend.

workshop-2016

Assets for the Materials Project workshop in Aug 2016

workshop-2017

Assets for the 2017 Materials Project workshop