3 projects
descriptastorus
Descriptor creation, storage and molecular file indexing
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.
oloren
A simple python library for creating Oloren Orchestrator extensions.
