Fe database: Difference between revisions

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They are also available on AWS.  
They are also available on AWS.  
aws:///zinc3d/Fe/
aws:///zinc3d/Fe/
[[Category:Databases]]
[[Category:Chemical Space]]

Revision as of 21:41, 17 May 2024

Fe, which is the Enumeration of the Hartenfeller and other reliable reactions, can be found

on our cluster at /nfs/exj/Fe/

Using Chemspace Building Blocks (480K) the enumerations are in

/mnt/nfs/exj/Fe/Chemspace0324/ChemspaceBB_enumerated

there are also some in /mnt/nfs/exj/Fe/Chemspace0324/170split

they are also available on Wynton


They are also available on AWS. aws:///zinc3d/Fe/