Missing model weights for ML_UVvisModels/UVvis-MPNN/original

[rhjvanworkum]

The pretrained model weights at ML_UVvisModels/UVvis-MPNN/original are missing in the repo (they are there for the other chemprop models with e.g. 3D distances as input features).

I would love to try out this model, so maybe you could upload the model weights.

[mcnaughtonadm]

Sorry, just noticed this!

Ah, yes we don't have those weights in the repo for some reason. I will investigate.

You can still use the version that uses 3D distances without needing to supply your own 3D features in the meantime. The code will compute them via rdkit conformers if you don't supply your own as input features.

[theGOTOguy]

Is there any update on this? We'd like to evaluate this model for use in our project.

Update: Likewise, the pretrained model for UVvis-MPNN/3D_distance_plus_spectra apparently requires a missing file: DFT_spectra_feature_chemprop.csv -- as far as I can tell, the model will be unusable without this.