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This issue contains monthly updates to an automatically ranked list of PubMed papers as candidates for curation in the Bioregistry. Papers may be relevant in at least three ways:
(1) as a new prefix…
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Hi!
When running the training code, I noticed that `trans_score_loss` is always `0`. Because `trans_x0_threshold` is set to `1.0`. What is the purpose of this setting?
https://github.com/jasonkyuyi…
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/NeuralPLexer/neuralplexer/inference.py:629: UserWarning: Assuming the provided receptor input is a protein sequence
warnings.warn("Assuming the provided receptor input is a protein sequence")
Blo…
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Thanks for very good job. I've learned so much from your work.
I have successfully run an unconditional protein scaffold generation and generated some 3D structure that looks a bit like the protein.
…
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This issue contains monthly updates to the ranked list of PubMed papers for curation. The full list can be found [here](https://github.com/tanayshah2/bioregistry/blob/5560dcf284f2c0309287e0a5a551e435e…
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Hello! I was wondering if Exprose takes into account disulfide bridges in its structure generation process. I happen to have a protein with 14 disulfide bridges and the structures generated by Exprose…
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**Describe the problem**
It would be great to add the large molecule fluorescent protein task introduced [here](https://arxiv.org/abs/2203.12742) as a molecular generation oracle. Code is available […
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* PIGT version:
* Python version: 3.10
* Operating System: Linux
### Description
I am trying to generate a protein-ligand complex for a small protein (536 residues) and got `torch.cuda.OutOfMe…
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**In broad terms, what are you trying to do?**
For the COVID Moonshot second-generation inhibitor program (and its successor [ASAP](https://www.choderalab.org/news/2021/10/26/asap-avidd-proposal)),…
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i.e. using multi-dimensional scaling (MDS), or could be a trained network. If a trained network, an interesting approach might be to map the representation (including redundant information) to the dir…