Abhijith Gopakumar's repositories
dft-input-gen
Python library to generate input files for DFT codes.
oqmd-optimade-tutorial
Tutorial on OQMD data retrieval using OPTIMADE and building an ML model
amset
Electronic transport properties from first-principles calculations
optimade-python-tools
Tools for implementing and consuming OPTiMaDe APIs in Python
diel-design-scripts
Raw scripts used in an article describing a materials design workflow
docs-qmpy_rest
Documentation for RESTful API implemented at oqmd.org
emc
Effective Mass Calculator for Semiconductors
icsd-queryer
A python module to query data programmatically from the ICSD.
IntroToDB_Project
Class project
may4_challenge_exercises
Original versions of the exercises
my_ml_service
My Machine Learning Web Service
OptimizationProject495
Project for EECS 495 (Northwestern University). Fall,2018.
providers
This repository hosts the providers.json file for OPTIMADE that lists reserved database-specific prefixes and URLs to the index databases of all database providers that participate in the OPTIMADE network
qmpy_rester
A toolkit for querying data in OQMD.
supercell-core
Package for investigation of mulitlayer 2D heterostructures' lattices (Work in progress!)