# Fileset

[README.md](https://mdr.nims.go.jp/filesets/ef3bff86-887d-4436-be65-b34fd5f1e03c/download)

## Creator

[NAKANO, Kosuke](https://orcid.org/0000-0001-7756-4355), Oto Kohulák, Abhishek Raghav, Michele Casula, Sandro Sorella

## Rights

[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Python suites for high-throughput calculations of the ab-initio quantum Monte Carlo methods](https://mdr.nims.go.jp/datasets/78421622-9694-4d50-a467-58dd1297c08c)

## Fulltext

The TREXIO files used for the validation tests in the paper entitled TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods. The detail about the TREXIO library is described in the JCP article [J. Chem. Phys. 158, 174801 (2023)] and the GitHub repository [https://github.com/TREX-CoE/trexio]. The TREXIO files were generated using TREXIO version 2.3.2 (and the corresponding Python API version 1.3.2).