Repository details
Pitt Quantum Repository
Name of repository
Pitt Quantum Repository
Additional name(s)
- PQR
Repository URL
Subject(s)
Description
PQR is an online database of molecular properties predicted from quantum mechanics with integrated capabilities for molecular visualization and data sharing. ased on the number of molecules, PQR is currently the largest open database of molecular quantum calculations. PQR features interactive high-quality rendering of molecular structures and properties on computers, tablets, and cell phones and allows to efficiently share data via digital object identifiers (DOI) and scannable QR barcodes.
Repository size
106.066 molecules
Repository type(s)
- disciplinary
Mission statement for designated community
Research data repository language(s)
- English
Data and/or service provider
- dataProvider
Institutions (3)
Country
Type(s) of responsibility
- funding
Type of institution
non-profit
Country
Type(s) of responsibility
- general
- funding
Type of institution
non-profit
Country
Type(s) of responsibility
- funding
Type of institution
non-profit
Database access
Type of access to research data repository
open
Database licenses (1)
Database License
Data access (1)
Type of access to data
open
Data licenses (1)
DataLicense
Data upload (1)
Type of data upload
closed
Persistent identifier system(s)
- DOI
Name of the repository software
- other
Versioning
no
Data citation guideline
Enhanced Publication
no
Quality management
unknown
Remarks
Remarks
PQR is covered by Clarivate Data Citation Index.
Entry date
2020-02-12
Last update
2024-04-19
Cite this re3data.org record:
re3data.org: Pitt Quantum Repository; editing status 2024-04-19; re3data.org - Registry of Research Data Repositories. http://doi.org/10.17616/R31NJMPD last accessed: 2025-04-26- Current projects
- EOSC FAIR-IMPACT
-
To the extent possible under law,
re3data.org
has waived all copyright and related or neighboring rights to
the database entries of re3data.org.
-
Except where otherwise noted, content on this site is licensed under a
Creative Commons Attribution 4.0 International License
.
- Cite this service: re3data.org - Registry of Research Data Repositories. https://doi.org/10.17616/R3D last accessed: 2025-04-26
