Ecosyste.ms: Packages
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conda-forge.org : maxsmi : 1.1.0
SMILES augmentation for deep learning based molecular property and activity prediction.
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purl: pkg:conda/[email protected]
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v1.1.0
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Dependencies
- dataframe_image
- deepsmiles
- jupyter
- jupyterlab
- matplotlib-base
- python >=3.7
- pytorch
- rdkit >=2018.09.2.0
- requests
- scikit-learn
- selfies
- tqdm