dev-python/olorenchemengine
Oloren ChemEngine is a library for molecular property prediction, uncertainty quantification and interpretability. It includes 50+ models and molecular representations under a unified API, which achieves state-of-the-art performances on a variety of molecular property prediction tasks. The diversity of models and representations is achieved by integrating all top-performing methods in the literature as well an in-house methods.
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olorenchemengine-1.0.14
dev-python/ipython[python_targets_python3_11
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python_targets_python3_11?
( dev-lang/python:3.11 )
python_targets_python3_12?
( dev-lang/python:3.12 )
python_targets_python3_13?
( dev-lang/python:3.13 )
python_targets_python3_14?
( dev-lang/python:3.14 )