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Hi,
I'm trying to run an MD simulation with several small molecules bound to the protein. I keep getting the following error even I have already registered the forcefield generator for correspondin…
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News section under Announcements section, similarly to the one that was on [USO](http://userscripts-mirror.org/).
New news items to be featured would be Qupzilla, Tampermonkey, Violentmonkey, and Web…
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Hi, I'm trying to follow the tutorial of Uni-Mol tools using Google Colab.
After running the exemplar code:
```python
import numpy as np
from unimol_tools import UniMolRepr
# single smiles un…
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**Description**
Please describe what you are trying to do, what you have done so far, and what you could use help with.
I am attempting to use bespokefit to parametrize the torsions for a molecu…
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## Issue
When running `md-models convert` using a *.md data model, code generation fails. Although `validate` states that the document is valid.
## Example to reproduce
```md
# Calibration S…
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For Reactome complexes that are controllers of enzymatic reactions, these should be aligned with GO-CAM to specify gene product IDs and not PRO IDs. To do this, we will need to handle two different ca…
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Hello everyone, I am Faustina. I am an Mpharm student researching on the design of fragments for Open source antibiotics. I have looked at the current poses that have been done on the Mur D and Mur E…
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### Bug Description
There are two separate but related issues that I observed. First, an RMG website user mentioned that using RMG kinetics search for nitro-substituted benzenes causes the kinetics s…
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## Keyword: detection
### Video Anomaly Detection by Estimating Likelihood of Representations
- **Authors:** Yuqi Ouyang, Victor Sanchez
- **Subjects:** Computer Vision and Pattern Recognition (cs.C…
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How do we get GO Slim terms?
Here's a file of genes (DEGs that are shared between experiment A and B for sea star stuff):
[DEGlist_same_2021-2022_forGOslim.tab](https://github.com/grace-ac/pape…