Name: Aakash Ashok Naik
Type: User
Company: Bundesanstalt für Materialforschung und -prüfung
Bio: Doctoral candidate at Bundesanstalt für Materialforschung und -prüfung and at University of Jena, Germany.
Twitter: NaikAak
Location: Berlin
Blog: https://www.aakashnaik23.de/
Aakash Ashok Naik's Projects
atomate is a powerful software for computational materials science and contains pre-built workflows.
atomate2 is a library of computational materials science workflows
A simple, robust and flexible just-in-time job management framework in Python.
This repo contains summary and example scripts to access and visualize JSONS from our preprint : https://doi.org/10.48550/arXiv.2304.02726
Be a master builder of databases of material properties. Avoid the Kragle.
jobflow-remote is a Python package to run jobflow workflows on remote resources.
Repository Consisting of analysis scripts
Repository consisting of interactive analysis plots
This is a package to reproduce the publication on Lobster automation
Package to automatically analyze Lobster runs
Graph deep learning library for materials
Data mining for materials science
MODNet: a framework for machine learning materials properties
About Me
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.
A python interface of NEP
Scipy library main repository
Heavyweight plotting tools for ab initio calculations
A playbook for systematically maximizing the performance of deep learning models.