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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [X] Install the Ersilia Model Hub and test the simplest model
- [X] Write a m…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [X] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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Hello,
I had some questions regarding setting up my own project using the Reinforcement_Learning notebook:
- The scoring function makes use of the Aurora kinase model in the demo. If I would lik…
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thanks a lot
both mhcflurry and NetMHCpan-4.1 give s the latest verssion of predicition tool,
in pvacseq of NetMHCpan, it used 4.0, but it seems it just used the binding data, but eluted data of …
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Thank you for your excellent work . Your work presents a good way to get pocket-ligand complex representation using little MD trajectories data. And your paper presents a good result on binding ac…
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### 路由地址
```routes
/acs/journal/:id
```
### 完整路由地址
```fullroutes
acs/journal/accacs
acs/journal/jacsat
```
### 相关文档
https://docs.rsshub.app/zh/routes/journal#american-chemistry…
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在运行KDD 2021 paper: "Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity".这篇文章的代码数据处理部分命令行时
python preprocess_pdbbind.py --data_path_core YOUR_DATAS…
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Hi,
I've been using the log_likelihood calculation script as a proxy to calculate the effect on stability of changes in one of the sequences (chains) in a 2 chain pdb structure predicted by Alphafold…
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Hello Andrew,
I have a couple of questions regarding the antigen garnish output file:
1. There is a column called pep_type with three different types (wt, mutnfs and mut_other), does this mean tha…
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I am very interested in your work on LIMO and I am currently trying to reproduce your experiments with your code. However I have a problem when the property to optimize is the binding_affinity for ESR…