Tokenize SMILES with substructure units

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  • License: Apache Software License (Apache Software License 2.0)
  • Author: Xinhao Li
  • Tags Cheminformatics, SMILES
  • Requires: Python >=3.6
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Project description

SMILES Pair Encoding.

SMILES Pair Encoding (SmilesPE) trains a substructure tokenizer from a large set of SMILES strings (e.g., ChEMBL) based on byte-pair-encoding (BPE).

Install

pip install your_project_name

Use the Pre-trained

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Project details

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Avatar for xinhaoli from gravatar.com xinhaoli

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Project links
Meta
  • License: Apache Software License (Apache Software License 2.0)
  • Author: Xinhao Li
  • Tags Cheminformatics, SMILES
  • Requires: Python >=3.6
Classifiers

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0.0.3

0.0.2

This version

0.0.1

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