There is a newer version of this record available.

Dataset Open Access

Alexandria Library

Ghahremanpour, Mohammad Mehdi; van Maaren, Paul; van der Spoel, David


JSON Export

{
  "files": [
    {
      "links": {
        "self": "https://zenodo.org/api/files/36bbfb58-7756-41a7-b2f0-20c6d4b65613/AlexandriaLib.tar.gz"
      }, 
      "checksum": "md5:8b4404d3c0a7894b3e1b4432b5579937", 
      "bucket": "36bbfb58-7756-41a7-b2f0-20c6d4b65613", 
      "key": "AlexandriaLib.tar.gz", 
      "type": "gz", 
      "size": 2854077397
    }
  ], 
  "owners": [
    31378
  ], 
  "doi": "10.5281/zenodo.1004711", 
  "stats": {
    "version_unique_downloads": 125.0, 
    "unique_views": 339.0, 
    "views": 363.0, 
    "downloads": 105.0, 
    "unique_downloads": 86.0, 
    "version_unique_views": 1470.0, 
    "volume": 299678126685.0, 
    "version_downloads": 181.0, 
    "version_views": 1566.0, 
    "version_volume": 537768907099.0
  }, 
  "links": {
    "doi": "https://doi.org/10.5281/zenodo.1004711", 
    "conceptdoi": "https://doi.org/10.5281/zenodo.1004710", 
    "bucket": "https://zenodo.org/api/files/36bbfb58-7756-41a7-b2f0-20c6d4b65613", 
    "conceptbadge": "https://zenodo.org/badge/doi/10.5281/zenodo.1004710.svg", 
    "html": "https://zenodo.org/record/1004711", 
    "latest_html": "https://zenodo.org/record/1170597", 
    "badge": "https://zenodo.org/badge/doi/10.5281/zenodo.1004711.svg", 
    "latest": "https://zenodo.org/api/records/1170597"
  }, 
  "conceptdoi": "10.5281/zenodo.1004710", 
  "created": "2017-10-08T15:57:31.421464+00:00", 
  "updated": "2019-04-09T13:15:08.266738+00:00", 
  "conceptrecid": "1004710", 
  "revision": 5, 
  "id": 1004711, 
  "metadata": {
    "access_right_category": "success", 
    "doi": "10.5281/zenodo.1004711", 
    "description": "<p>The\u00a0Alexandria library is as an open access\u00a0quantum-chemical\u00a0database\u00a0<br>\nof molecular optimized geometries, frequencies, thermochemistry,\u00a0polarizability and molecular electric moments<br>\nfor\u00a0organic and inorganic molecules.\u00a0The name<br>\nAlexandria highlights that we aim to collect\u00a0all<br>\nknowledge in the world, old and new, on molecular properties, just<br>\nlike the legendary library of Alexandria, since availability of data rapidly declines with time.This library will\u00a0assist systematic development and training of empirical\u00a0<br>\nforce fields for a broad range of molecules.\u00a0</p>", 
    "license": {
      "id": "CC-BY-4.0"
    }, 
    "title": "Alexandria Library", 
    "notes": "The Swedish research council is acknowledged for financial support to DvdS (grant 2013-5947) and for grants of computer time (SNIC2015-16-33, SNIC2016-34-44) through the High Performance Computing Center North in Ume\u00e5, Sweden.", 
    "relations": {
      "version": [
        {
          "count": 2, 
          "index": 0, 
          "parent": {
            "pid_type": "recid", 
            "pid_value": "1004710"
          }, 
          "is_last": false, 
          "last_child": {
            "pid_type": "recid", 
            "pid_value": "1170597"
          }
        }
      ]
    }, 
    "keywords": [
      "Computational Chemistry", 
      "Quantum Mechanics", 
      "Molecular Simulation", 
      "Empirical Force Fields"
    ], 
    "publication_date": "2017-10-08", 
    "creators": [
      {
        "affiliation": "Uppsala Centre for Computational Chemistry,  Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden", 
        "name": "Ghahremanpour, Mohammad Mehdi"
      }, 
      {
        "affiliation": "Uppsala Centre for Computational Chemistry,  Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden", 
        "name": "van Maaren, Paul"
      }, 
      {
        "affiliation": "Uppsala Centre for Computational Chemistry,  Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden", 
        "name": "van der Spoel, David"
      }
    ], 
    "access_right": "open", 
    "resource_type": {
      "type": "dataset", 
      "title": "Dataset"
    }, 
    "related_identifiers": [
      {
        "scheme": "doi", 
        "relation": "isVersionOf", 
        "identifier": "10.5281/zenodo.1004710"
      }
    ]
  }
}
1,566
181
views
downloads
All versions This version
Views 1,566363
Downloads 181105
Data volume 537.8 GB299.7 GB
Unique views 1,470339
Unique downloads 12586

Share

Cite as