Version 0.0.1

This is an initial release with the v0.0.1-alpha.1 pre-production GNN model for assigning AM1-BCC-like partial charges to molecules.

Warning: as this model has not yet passed our validation benchmarks, we do not recommend using this model in real scientific work.

Warning: model included here is currently an openff.nagl.GNNModel that can be loaded with torch.load. This format and API may change in the future.