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/ | ||
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[[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/