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Author:
Daoyuan Li
License:
MIT
Summary:
A lightweight toolkit for de novo molecular generation (SMILES/SELFIES; CharRNN, MolGPT, VAE)
Latest version:
0.2.0
Required dependencies:
numpy
|
pandas
|
rdkit
|
scikit-learn
|
torch
|
tqdm
Optional dependencies:
pre-commit
|
pytest
|
ruff
|
selfies
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