[Dataset request] **MolSSI datasets (3rd party archive)**

[gpwolfe]

Name

Gregory Wolfe

Email

[email protected]

Dataset name

MolSSI*

Authors

Various

Publication link

No response

Data link

https://qcarchive.molssi.org/apps/ml_datasets/

Additional links

No response

Dataset description

This is an archive of datasets, including some at DFT and some at CCSD levels of theory. Includes ANI sets, QM* sets, SPICE (in subsets), and others that we have already ingested. Links directly to Zenodo.

File details

Options for tarred hdf5 and text (unknown format)

Method

No response

Method (other)

No response

Software

None

Software (other)

No response

Software version(s)

No response

Additional details

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Property types

No response

Other/additional property

No response

Property details

No response

Elements

No response

Number of Configurations

No response

Naming convention

No response

Configuration sets

No response

Configuration labels

No response

Distribution license

No response

Permissions

• I confirm that I have the necessary permissions to submit this dataset