Jasper Butcher

Pre-training does not organise the latent space very well so is unlikely to give a good accuracy to begin with. If you changed starting parameters / setting you might also...

Hi! Could you provide more details of how you installed rfd3? When you have the environment activated locally, does `rfd3` at the coomand-line do anything?

Hi ZhuLvs, thanks for your kind words! To rachels point you can find the hydrogen bonds made in the metrics json if hbplus is installed - RFD3 won't get the...

Ah there was a missing import, have fixed this on this commit: https://github.com/RosettaCommons/foundry/commit/73d43c50e1943fcd34859a9236b5a0594608496d

Hi! It's quite normal that for complex active sites it'll take a few tries, for that reason there's the `join_point_rmsd` and `insertion_rmsd` which gets logged to the json which can...

Afaik we don't have NPU hardware internally so we aren't able to test NPU support for you. If you'd like to submit a PR with support for it I'd be...

Nono this is a usual warning it's all good

Hi! This error usually happens if there's a name conflict with your ligand name and a ligand that's in the ccd; it's trying to use the CCD reference conformer for...

Hello! So you can tune this by also adding: - `select_unfixed_sequence: 'A1-140'` - this will relax the sequence input to the model - `select_fixed_atoms: {'A1-140': "BKBN"}` - this will diffuse...

I'd presume it's fixing the coordinates too. Include `contig` and `select_fixed_atoms` explicitly as well: ``` { "partial_diffusion": { "input": "mypdb.pdb", "partial_t": 30.0, "select_unfixed_seq": "A1-140", "select_fixed_atoms": False, "contig": "A1-140" } ```