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* PIGT version:
* Python version: 3.9
* Operating System: centos
### Description
Ran:
```
neuralplexer-inference --task=batched_structure_sampling \
--input-receptor …
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Hello,
I’m trying to predict monomer structure of length 4000 protein on 80G A100 NVIDIA GPU, the readme says the maximum length of prediction is more than 5000, while an OOM error occurs as below…
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We want to insert ready-to-use notebooks to perform the entire 3D-Vac pipeline; in particular, we can develop two notebooks:
- [ ] **1. 3D modeling notebook.** Given a peptide-protein complex sequenc…
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I am currently facing an issue with predicting protein-peptide complexes. I have successfully installed AlphaFold3 locally and received the model parameters. While I am able to predict individual prot…
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"Docking" used to be a Topic (EDAM 1.12) but was deprecated, and merged into the notion of [Molecular modeling](http://edamontology.org/topic_2275). Yet it's suggested as a topic in https://github.co…
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## Expected Behavior
Recently when we attempted to run AF2 on a complex but failed with following error message. We then test it with a notebook we ran before and same error was generated. Please hel…
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**Description:**
- DeepChem Version: 2.0.0
- Platform: Ubuntu 18.04
Hi, I am going through the tutorials and have question about using the PBD_Bind dataset to predict pIC50/KI. I would like to …
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Hi, I am trying to run DeepAffinity on the PDBind dataset, and am running into issues when trying to use the SSpro/ACCpro to get the the secondary structure and exposedness predictions for the protein…
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I'm trying to use [HuggingFace's ESMFold](https://huggingface.co/facebook/esmfold_v1) to predict 3D protein structures from the protein sequence. I've got a PDB output that loads just fine on the [RCS…
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https://arxiv.org/abs/1605.03004