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UPDATE:
```
In [157]: problem_date = old.dob.loc[4231354]
In [158]: problem_date
Out[158]: datetime.date(2939, 6, 2)
In [159]: test_series = pd.Series([problem_date])
In [160]: pd.to_datetime(test…
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The PDB files that are the inputs to XCA sometimes have unexpected chain names. For instance, the `assemlies.yaml` expects chains A and B, but the PDB files that are generated use chain M and N, and t…
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Hi, nice work! We encountered a problem using your project.
1. I'm having a lot of conflicts using `conda env create -f environment.yaml`.
2. Do I have to download uniref100 to run tests on my ow…
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I tried to reproduce the FPS number on the mipnerf360 dataset but failed.
Specifically, I set up the environments following the instructions in README, and then evaluated the models after training …
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Awesome work :)
I am thinking about finetuning this model on specific protein domain with MLM task.
As in, starting from the SaProt model weights, further finetuning on un-labeled dataset.
1. W…
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Hi, first of all congrats on the paper.
For the BindingDB dataset. They provide linear(1D) representations of both protein (amino acid seq) and ligand (SMILES). How do you map 1D amino acid seq to…
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I follow the commands of the README to install sumo, I resolve the problems related to the missing pip package and I installed numpy 1 instead of the 2 that is not compatible, I already downloaded the…
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Hi,
Thanks for providing great tool to predict the binding energy.
I install the tool on mac, following the step provided.
Error was found when I ran the command
`python GCN.py -f datasets…
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SPICE 2 is close to finished, which means this is a good time to discuss possible additions for version 3. Here are some ideas to get things started.
- **Nonbonded interactions between amino acids…
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Thanks for the very interesting work and the code!
I wanted to try to get the Protein MPNN CMLM model running on one of the example PDB files.
I copied the code from the Readme, but appear to ha…