COVID-19 Molecular Structure and Therapeutics Hub "Large" data intake form
Please use this form to apply for linking to larger data information (e.g. Trajectories, 1M+ atom structures, ML Training sets, non-GitHub suitable files). If its large numbers of entries, we want to help coordinate/automate populating data to avoid endless manual insertion. There are two options for large data submissions that you wish to make public. You can host the files yourself and simply link to them on the Hub. Alternatively, by filling out this form, we can work with you to upload them to a MolSSI public facing server (utilizing our AWS allocation) for linking and referencing in the COVID-19 Molecular Structure and Therapeutics Hub at
Smaller data can be directly submitted to the GitHub repository attached to the link above.
Data submitted through this form are subject to the Hub's Peer Review policies. See
for more information.
The submitted data (not this form) will be shared on a PUBLIC server, if uploaded, which can be downloaded unrestricted. We will note the licensing information provided with the data, but cannot take any actions to enforce it on your behalf.
The person(s) named in "(6) Contact for questions and upload coordination" retain full rights to the data uploaded and can request removal at any time by contacting MolSSI or a COVID-19 Hub Maintainer. Neither the MolSSI, the COVID-19 Hub maintainers/contributors, nor any other not aforementioned 3rd party claim rights to the data uploaded in response to this form; notwithstanding uploader's affiliation with any of those organizations.
MolSSI and COVID-19 Hub Maintainers preserve the rights and means to manage this data's existence on our servers, including is removal. Uploading of malicious, misleading, copyright, or plagiarized material will not be tolerated and MolSSI and COVID-19 Hub Maintainers reserve the rights to remove any data at our discretion, although you will be notified of any removal. You may contest this by contacting MolSSI or COVID-19 Hub Maintainers.
(1) Research Group
Type of Data
Choose the best option amongst the following. We are simply looking to understand the nature of your data to best help you get it into the database, so don't fret over the ambiguity in these terms. If nothing fits here, simply mark "Other" and we'll work it out!
Large Disk Space Structural Files
Datasets consisting of many entries
Machine Learning Training Data
Hypothetical molecules and structures which don't fall into the categories on the main site.
(2) Data Description
(3) Data Generation Platform
(4) Licensing of data (if applicable)
(6) Contact for questions and upload coordination
(1) Scientific Description
(2) Scientific Data Class
(3) Data Specifics (Size, required programs if non-obvious)
(4) Data schema (link to YAML file)
If none of the schema on the site fit in this category, indicate this and we will work to develop or extend existing schema to include your data.
(5) Relevant References (excluding DOI's, see next question)
For any DOI, please note the exact files/data associated with each DOI.
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