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### Model Name
REINVENT 4 Mol2MolScaffold
### Model Description
Mol2MolScaffold uses REINVENT4's mol2mol_scaffold.prior and mol2mol_scaffold_generic.prior to generate around 500 new molecules simil…
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### Model Name
Predict micro-pKa of organic molecules
### Model Description
QupKake is an innovative approach that combines graph neural network (GNN) models with semiempirical quantum mechanical (…
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### Model Name
REINVENT 4 Mol2MolMediumSimilarity
### Model Description
The Mol2MolMediumSimilarity model is one of the models within REINVENT 4 used to find new molecules similar to the prov…
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### Model Name
SQUID 3D shape generation
### Model Description
Equivariant shape-conditioned generation of 3D molecules for ligand-based drug design.SQUID can generate chemically diverse molecules …
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### Describe the bug.
If the model serving process was interrupted when the service class has not been specified yet, you get this error when you use the `ersilia close` command.
```
Traceback …
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@miquelduranfrigola any ideas which one we should use? I think GPL 3 or later, the same as ersilia, would be a good choice.
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Please leave any thoughts on Kairoi's Template ChatGPT Use Policy below. For example:
* How can the introduction be made clearer?
* Should the template make more explicit reference to concerns arisi…
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### Model Name
Uni-Mol molecular representation
### Model Description
Uni-Mol offers a simple and effective SE(3) equivariant transformer architecture for pre-training molecular representatio…
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### Summary
The [Good Data Institute](https://www.gooddatainstitute.com/) team has developed a solution to do model inference at scale using GitHub Actions. By default, we calculate 2M molecules av…
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### Model Name
Translator from IUPAC Name to Smiles
### Model Description
Translator from IUPAC names to SMILES. This model uses a deep learning neural machine translation (NMT) approach that allow…