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  • JW – Thanks for quick fix to CPU platform. I’m waiting for conda packages to come online so I can test again.

  • JW – I worked a bit with Richard Gowers (head of OpenFE) to try writing a writing a more flexible PDB loader (one which can be taught about more residues). It seems like some big tradeoffs are

    • Should we use atom/residue names exclusively to find chemical templates? Or can we use elements+bonds (detected by distance) to find templates?



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