This release adds openff-2.3.0.offxml and openff_unconstrained-2.3.0.offxml. Sage 2.3.0 is the first OpenFF force field to use the AshGC neural network charge model to assign charges. Both vdW parameter values and valence parameter values have been re-fit. Compared to 2.2.1, it splits torsions so that a single torsional parameter only covers a central bond with a single multiplicity. It also adds some bond and angle parameters to fix targeted chemistries. Sage 2.3.0 is identical to Sage 2.3.0-rc2. The fitting files can be found here: https://github.com/openforcefield/ash-sage-rc2/releases/tag/2.3.0
This force field is applicable to druglike molecules consisting of the elements C, H, O, N, P, S, F, Cl, Br, and I, atomic Xe, and the monoatomic ions Li+, Na+, K+, Rb+, Cs+, F-, Cl-, Br-, and I-. The parameters have been co-optimized to TIP3P water, therefore this force field also contains parameters for TIP3P, including bond length constraints.