Charge correction: investigate other systems?

OpenFreeEnergy / openfe-benchmarks

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Charge correction: investigate other systems? #38

Open hannahbaumann opened 10 months ago

hannahbaumann commented 10 months ago

We could take some of the other systems from the Schrodinger paper, maybe even the ones with pKa correction, and run them - we can maybe run compare to the raw results.

hannahbaumann commented 10 months ago

Running: PTP1B, TYK2, ephx2 from the Schrodinger charge changing paper