dMaSIF
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FreyrS
Hi dMaSIF team and all the developers, I have this problem when reproducing the code, when pre-processing the training dataset, it appears that the points are all deleted when removing...
Hi, thanks for sharing this code repository and this impressive work! I understand that dMASIF can calculate the coordinates and normal vectors of protein surface vertices as below. def preprocess_surface(self,...
Hi @FreyrS ! Love this robustified version of masif! Would you mind providing an example of how to embed a local pdb with dmasif? Thanks!
Hi I ran the below command (had to fetch the pretrained model from the dMaSIF_colab repo) to test the site prediction accuracy and the ROC-AUC was on average of 0.62,...
 It seems that the training is not stable. I follow the "benchmark_scripts" to retrain the dMaSIF_site_3layer_9A. But when calculate the roc-auc, it raised "Problem with computing...
Hello authors and anyone else who has tried dMaSIF, do you ever face a CUDA memory leak issue? I'm training it on a dataset of protein surface patches on an...
Dear Authors, This is a really great work! Thank you! I wonder whether this script can be used on single protein ? And how ? BTW, I'm working on interaction...
Hello authors, I am in the process of modifying dMaSIF for the downstream task of protein-ligand binding affinity prediction. While reading & modifying your code, I noticed that in `data_iteration.iterate`,...
Hi I'm trying to use dMaSIF for interaction prediction between proteins (taking a target and finding the best binder in a large collection of potential binders) At the moment, I...
1. Updated .gitignore to be more inclusive 2. Updated working core dependencies to new versions 3. Added `*args, **kwargs` to `__inc__` and `__cat_dim__` 4. Updated shape operator estimation to support...
