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Author:
Genheden, Samuel
License:
MIT
Summary:
Models for calculating distances between synthesis routes
Latest version:
1.2.4
Required dependencies:
apted
|
numexpr
|
numpy
|
optuna
|
pandas
|
pydantic
|
python-dateutil
|
pytorch-lightning
|
pytorch-tree-lstm
|
rdkit
|
scikit-learn
|
tables
|
torch
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