Olorenchemengine

Description

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.

Resources

• GitHub
• PyPi

• 1.0.14
• 1.0.13
• 1.0.12
• 1.0.11
• 1.0.10
• 1.0.9
• 1.0.8
• 1.0.7
• 1.0.6
• 1.0.5
• 1.0.4
• 1.0.4a0
• 1.0.3
• 1.0.2
• 1.0.1
• 1.0.0
• 0.0.0