datamol.io is an open-source toolkit and ecosystem that simplifies molecular processing and featurization workflows for ML scientists in drug discovery.

Learn more at https://datamol.io/.

• Datamol - Molecular Processing Made Easy.
• Molfeat - The hub for all your molecular featurizers.
• Graphium - Scaling molecular GNNs to infinity.
• Medchem - Molecular filtering for drug discovery.
• SAFE - A single model for all your molecular design tasks.
• Splito - Machine Learning dataset splitting for life sciences.