deepchem

Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.

Key Features

• Comprehensive skill evaluation and performance tracking
• Community-driven ratings and reviews
• Easy integration with Claude Code
• Regular updates and maintenance

Quick Start

TopRank Skills install K-Dense-AI/deepchem