التفاصيل البيبلوغرافية
| العنوان: |
Customized software dependencies, workflow run scripts, and molecular and machine learning datasets for reproducing the Colmena-XTB experiment |
| المؤلفون: |
Phung, Thanh Son Tran, Ward, Logan |
| بيانات النشر: |
Zenodo |
| سنة النشر: |
2023 |
| المجموعة: |
Zenodo |
| الوصف: |
The entire Colmena-XTB workflow's reproducibility formula and dependencies are contained in this tarball. To rerun Colmena-XTB, download and unpack the tarball and follow the instructions in `README.md`. ; This project was supported in part by the Exascale Computing Project (17-SC-20-SC) of the U.S. Department of Energy (DOE), by DOE's Advanced Scientific Research Office (ASCR) under contract DE-AC02-06CH11357, and by the National Science Foundation grant OAC-1931348. |
| نوع الوثيقة: |
other/unknown material |
| اللغة: |
English |
| Relation: |
https://doi.org/10.5281/zenodo.6554409; https://doi.org/10.5281/zenodo.7823513; oai:zenodo.org:7823513 |
| DOI: |
10.5281/zenodo.7823513 |
| الاتاحة: |
https://doi.org/10.5281/zenodo.7823513 |
| Rights: |
info:eu-repo/semantics/openAccess ; Creative Commons Attribution 4.0 International ; https://creativecommons.org/licenses/by/4.0/legalcode |
| رقم الانضمام: |
edsbas.B7ECE268 |
| قاعدة البيانات: |
BASE |