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Participants

Goals

  • Updates from Molssi

    • BP & DD production testing the new QCF rc.

  • New submissions

    • SB’s single points with wavefunctions, OpenFF ESP Fragment Conformers v1.0, 63K small molecules (~<15 heavy atoms).

  • User questions/issues

    • pubchem sets 2-6 resubmission/record modification to remove wavefunctions

  • Science support needs

  • Infrastructure needs/advances

Discussion topics

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Presenter

Notes




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