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Revisions

  • Updated OpenMM SPICE 2.0 whitepaper (markdown)

    @jchodera jchodera committed Jul 11, 2023
    af151ba

  • Updated OpenMM SPICE 2.0 whitepaper (markdown)

    @jchodera jchodera committed Jul 11, 2023
    1c20e43

  • Updated OpenMM SPICE 2.0 whitepaper (markdown)

    @jchodera jchodera committed Jul 11, 2023
    fe85d36

  • Updated OpenMM SPICE 2.0 whitepaper (markdown)

    @jchodera jchodera committed Jul 11, 2023
    ee6967a

  • Add proposed higher-level QM theory

    @jchodera jchodera committed Jul 11, 2023
    46d0d08

  • Updated OpenMM SPICE 2.0 whitepaper (markdown)

    @jchodera jchodera committed Jul 11, 2023
    41da762

  • Updated OpenMM SPICE 2.0 whitepaper (markdown)

    @jchodera jchodera committed Jul 11, 2023
    13d86ed

  • Update organic ionic interactions level of theory

    @jchodera jchodera committed Jul 11, 2023
    53de368

  • Cleaned up proposed datasets

    @jchodera jchodera committed Jul 11, 2023
    442bc93

  • Add more datasets

    @jchodera jchodera committed Jul 11, 2023
    3a200d0

  • Updated OpenMM SPICE 2.0 whitepaper (markdown)

    @jchodera jchodera committed Jul 11, 2023
    4cb2c79

  • Add PDB CCD and REALSpace

    @jchodera jchodera committed Jul 11, 2023
    3988793

  • Add levels of theory

    @jchodera jchodera committed Jul 11, 2023
    559ebd8

  • Update bulk water dataset info with AMOBEA force field version.

    @jchodera jchodera committed Jul 6, 2023
    3929a36

  • Fix template

    @jchodera jchodera committed Jul 6, 2023
    6a88fd0

  • Add suggested basis sets

    @jchodera jchodera committed Jul 6, 2023
    e06b3c4

  • Add example.

    @jchodera jchodera committed Jul 6, 2023
    deffa86

  • Update URL

    @jchodera jchodera committed Jul 6, 2023
    810fe85

  • Created template for each dataset

    @jchodera jchodera committed Jul 6, 2023
    16006eb

  • Initial Home page

    @jchodera jchodera committed Jul 6, 2023
    d7b6a3a