dedup_wf_001--15568bea49ead7a44031cfcc9ecfe82c

Data curated by the QCArchive team, originally sourced from quantum-machine.org. Molecules (not in QM9) generated by G-SchNet, trained on QM9. Geometries are relaxed at the B3LYP/6-31G(2d,p) level of theory.  For more information, see http://qcarchive.molssi.org/apps/ml_datasets/.

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Identity

Description: The Identity category includes attributes that support the identification of the resource.

Field Value
PID https://www.doi.org/10.5281/zenodo.3588336
PID https://www.doi.org/10.5281/zenodo.3538276
PID https://www.doi.org/10.5281/zenodo.3538275
PID https://www.doi.org/10.5281/zenodo.3585906
PID https://www.doi.org/10.5281/zenodo.3585964
URL http://dx.doi.org/10.5281/zenodo.3588336
URL http://dx.doi.org/10.5281/zenodo.3585964
URL https://figshare.com/articles/Molecules_generated_with_G-SchNet_QCArchive_View_Formatted_/11422782
URL http://dx.doi.org/10.5281/zenodo.3538276
URL https://figshare.com/articles/Molecules_generated_with_G-SchNet_QCArchive_View_Formatted_/10287752
URL https://zenodo.org/record/3538276
URL https://zenodo.org/record/3585906
URL https://figshare.com/articles/Molecules_generated_with_G-SchNet_QCArchive_View_Formatted_/11414733
URL https://zenodo.org/record/3588336
URL https://zenodo.org/record/3585964
URL https://figshare.com/articles/Molecules_generated_with_G-SchNet_QCArchive_View_Formatted_/11444712
URL http://dx.doi.org/10.5281/zenodo.3538275
URL http://dx.doi.org/10.5281/zenodo.3585906
Access Modality

Description: The Access Modality category includes attributes that report the modality of exploitation of the resource.

Field Value
Access Right Open Access
Attribution

Description: Authorships and contributors

Field Value
Author The MolSSI QCArchive Team
Publishing

Description: Attributes about the publishing venue (e.g. journal) and deposit location (e.g. repository)

Field Value
Collected From Zenodo; figshare; Datacite
Hosted By Zenodo; figshare
Publication Date 2019-11-11
Additional Info
Field Value
Language UNKNOWN
Resource Type Dataset
system:type dataset
Management Info
Field Value
Source https://science-innovation-policy.openaire.eu/search/dataset?datasetId=dedup_wf_001::15568bea49ead7a44031cfcc9ecfe82c
Author jsonws_user
Last Updated 11 January 2021, 08:01 (CET)
Created 11 January 2021, 08:01 (CET)