foldingdiff
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Diffusion models of protein structure; trigonometry and attention are all you need!
Thanks to the author for sharing, this is the wonderful work. I'd like to ask you a question. I want to achieve the conditional generation of the three-dimensional structure of...
The only code where I see a loop over k is in ScoreMatchingNoisedAnglesDataset class. I am not sure that I was able to find the use of the wrapped gaussian...
Hi, Very interesting work. I tried the sampling command 'python ~/projects/foldingdiff/bin/sample.py -l 50 128 -n 10 -b 512 --device cuda:0' and I observed a lot of steric clashes within the...
Hi Kevin, Thank you for the impressive work! In section 3.3, it says "a vanilla bidirectional transformer architecture" is adopted with a citation to the origin transformer paper. Also in...
Bumps [scipy](https://github.com/scipy/scipy) from 1.9.1 to 1.10.0. Release notes Sourced from scipy's releases. SciPy 1.10.0 Release Notes SciPy 1.10.0 is the culmination of 6 months of hard work. It contains many...
Bumps [transformers](https://github.com/huggingface/transformers) from 4.11.3 to 4.30.0. Release notes Sourced from transformers's releases. v4.30.0: 100k, Agents improvements, Safetensors core dependency, Swiftformer, Autoformer, MobileViTv2, timm-as-a-backbone 100k Transformers has just reached 100k stars...
Hi, thank you for sharing your very interesting folding model! I want to train a model using my own dataset. Do I just need to put the dataset in the...
I have an AssertionError: Expected /home/myname/projects to be empty! My File Structure is:/home/myname/projects/foldingdiff-main or /home/myname/projects/folddiff Sadly,None of them works. The error message is always AssertionError Can you show me a...
I'm sorry to bother you, but I ran pythonpython bin/train.py config_jsons/cath_full_angles_cosine.json --dryrun in foldingdiff_main The error is as follows: from foldingdiff import datasets ModuleNotFoundError: No module named 'foldingdiff' Looking forward...
Hello, It is a good idea to incorporate a script to produce variants from starting structures (aka. inpaiting). I was trying to run the script partial_noise_reconstruct.py but I got the...