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Dear author, you have a pre-trained model on github, on which dataset was this model pre-trained? In your paper, you mentioned using the CATH dataset for pre-training. I think it is an interesting dat…
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hello! We found the 10A interface pdb data, it does not exist 'ppi_10A_stats'. Do we need to generate it ourselves?
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@kaliif implemented changes to accommodate RHS upload to Fragalysis V2 - see #1327.
@boriskovar-m2ms confirms the uploading of custom pdb files to the RHS will require several days of effort. Summ…
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### Issues Policy acknowledgement
- [X] I have read and agree to submit bug reports in accordance with the [issues policy](https://www.github.com/mlflow/mlflow/blob/master/ISSUE_POLICY.md)
### Where…
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Hello, I am having trouble executing the example in the [Generating intrinsically disordered regions](https://github.com/microsoft/evodiff?tab=readme-ov-file#generating-intrinsically-disordered-region…
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- [ ] Datasets
- [ ] AlphaFold 3 PDB dataset
- [x] PDB mmCIF filtering script (`scripts/filter_pdb_mmcifs.py`)
- [x] Fix periodic residue count-chemical component coun…
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see
```
[Epoch 3295] it=240500, loss=5.24928904, time=10.5139
3295 ep: Train: ATE: 0.574 RPE_r: 27.093
3295 ep: Train: PSNR: 17.051
> /media/sam/aimlwork/github/nope-nerf/model/losses.py(20…
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Thank you for contributing this repository to the community!
I want to use ProSST for my own dataset. Unfortunately, my dataset only contains protein sequences (e.g., "MEAIAKYDFKATADDE") and does n…
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Hi Luwei!
I am running the test example, apparently without errors. But this single protein is taking too long (over one hour). Also, while I am using a dedicated GPU (RTX-4090), its utilization is…
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The [PDB Ligand Expo](http://ligand-expo.rcsb.org/) contains ~30K small molecules that appear in the PDB. This would be a good set to ensure we have adequate coverage of chemical space, since these mo…