naik-aakash
Doctoral candidate at Bundesanstalt für Materialforschung und -prüfung and at University of Jena, Germany.
Bundesanstalt für Materialforschung und -prüfungBerlin
Pinned Repositories
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
custodian
A simple, robust and flexible just-in-time job management framework in Python.
dataset-summary
This repo contains summary and example scripts to access and visualize JSONS from our preprint : https://doi.org/10.48550/arXiv.2304.02726
emmet
Be a master builder of databases of material properties. Avoid the Kragle.
JaGeo
JaGeo.github.io
lobster-database-paper-analysis-scripts
Repository Consisting of analysis scripts
lobster-database-paper-interactive-plots
Repository consisting of interactive analysis plots
LobsterAutomation
This is a package to reproduce the publication on Lobster automation
naik-aakash's Repositories
naik-aakash/lobster-database-paper-analysis-scripts
Repository Consisting of analysis scripts
naik-aakash/dataset-summary
This repo contains summary and example scripts to access and visualize JSONS from our preprint : https://doi.org/10.48550/arXiv.2304.02726
naik-aakash/lobster-database-paper-interactive-plots
Repository consisting of interactive analysis plots
naik-aakash/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
naik-aakash/atomate2
atomate2 is a library of computational materials science workflows
naik-aakash/custodian
A simple, robust and flexible just-in-time job management framework in Python.
naik-aakash/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
naik-aakash/JaGeo
naik-aakash/JaGeo.github.io
naik-aakash/LobsterAutomation
This is a package to reproduce the publication on Lobster automation
naik-aakash/LobsterPy
Package to automatically analyze Lobster runs
naik-aakash/matminer
Data mining for materials science
naik-aakash/matgl
Graph deep learning library for materials
naik-aakash/modnet
MODNet: a framework for machine learning materials properties
naik-aakash/naik-aakash
About Me
naik-aakash/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.
naik-aakash/scipy
Scipy library main repository
naik-aakash/sumo
Heavyweight plotting tools for ab initio calculations
naik-aakash/tuning_playbook
A playbook for systematically maximizing the performance of deep learning models.
naik-aakash/workflow-parsers