The Mol2MolMediumSimilarity leverages REINVENT4's mol2mol_medium_similarity.prior to generate approximately 100 unique molecules. The generated molecules will be relatively similar to the input molecule.
- EOS model ID:
eos694w - Slug:
reinvent4-mol2mol-medium-similarity
- Input:
Compound - Input Shape:
Single - Task:
Generative - Output:
Compound - Output Type:
String - Output Shape:
List - Interpretation: Model generates ~100 similar molecules per input molecule.
- Publication
- Source Code
- Ersilia contributor: ankitskvmdam
If you use this model, please cite the original authors of the model and the Ersilia Model Hub.
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a Apache-2.0 license.
Notice: Ersilia grants access to these models 'as is' provided by the original authors, please refer to the original code repository and/or publication if you use the model in your research.
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