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Author:
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License:
MIT License Copyright (c) 2024 Giulio Mattedi Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to de...
Summary:
An Object-oriented Representation for Chemical Spaces
Latest version:
0.1.1
Required dependencies:
joblib
|
numpy
|
rdkit
|
scikit-learn
|
scikit-learn-extra
|
scipy
|
typing-extensions
|
umap-learn
Optional dependencies:
coverage
|
ipykernel
|
matplotlib
|
myst-parser
|
pre-commit
|
pyright
|
pytest
|
rdkit-stubs
|
sphinx
|
sphinx-rtd-theme
|
sphinxcontrib-serializinghtml
|
twine
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