Supporting data for "Orbital Mixer: Using Atomic Orbital Features for Basis Dependent Prediction of Molecular Wavefunctions"

Shmilovich, Kirill; Willmott, Devin; Batalov, Ivan; Kornbluth, Mordechai; Mailoa, Jonathan; Kolter, J. Zico

Organizations

MDF Open

Year

2022

Source Name

orbital_mixer

License

CC-BY 4.0

Contacts

kirills@uchicago.edu

DOI

10.18126/cu4h-d2mm View on Datacite

Get the Data

This repository contains supporting data and code for the paper titled "Orbital Mixer: Using Atomic Orbital Features for Basis Dependent Prediction of Molecular Wavefunctions" by Kirill Shmilovich, Devin Willmott, Ivan Batalov, Mordechai Kornbluth, Jonathan Mailoa, and J. Zico Kolter