Versions Compared

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

...

See also the same hydration free energy metric on a per-molecule basis:

...

QM Benchmark wrt Sage on the Industry benchmark set

...

Forcefield used is

View file
nameforce-field-05-11-22.offxml

\uD83D\uDD17 Reference materials

...