Molecular modeling made easy
datamol.io is an open-source toolkit that simplifies molecular processing and featurization workflows for ML scientists in drug discovery.
A Python library built on top of RDKit. With extensive documentation and tons of tutorials, Datamol streamlines your experience for molecular data workflows.
An open-source hub of molecular featurizers. Access a diverse range of molecular featurizers in a single package. Rapidly test and evaluate which featurizer is best for your workflow.
A library to prioritize compounds at large scale. Medchem is a Python library that proposes multiple molecular medchem filters to a wide range of use cases relevant in a drug discovery context.
A machine learning dataset splitting library for life sciences. Splito proposes a wide range of chemistry and biology-specific machine learning splitting algorithms.
A Python library built on top of RDKit. With extensive documentation and tons of tutorials, Datamol streamlines your experience for molecular data workflows.
