Gabriele Corso

Hi @lcwLcw123 I personally read the file with PyMol and create the images and GIF using that!

I simply use the UI. You can either directly as movie or save as png and then put the png images together in a GIF

Yes it should be!

Hi @dan9thsense, DiffDock saves in the pdb file the whole reverse diffusion process so you should only look at the last frames of the pdb which should correspond to the...

Hi @james-vincent unfortunately we never encountered this error when creating the environments so I'm not able to help you with this

Hi @DanSeith, we will soon (within the next couple of months) release a new version that will include an all-atom docking model, so stay tuned for that!

Hi all, apologies for the delay, those lines were copied from the ESM installation commands, you can find [here](https://github.com/facebookresearch/esm#getting-started-with-this-repo-) some suggestions on how to try to solve the issue. I...

Hi, unfortunately, the answer is that at the moment DiffDock does not take into account ligands in the input pdb files and therefore cannot consider the effect of cofactors. It...

Hi, Have you run the model multiple times? There is some variance in the performance due to randomness (38.2% was the mean of the 3 runs we did)

Yes, 3 independent runs with 40 samples per complex each