Skills and MCP tagged “cheminformatics”

torchdrug K-Dense-AI skill Helps build and debug TorchDrug 0.2.1 pipelines for molecular graphs and proteins. Use it when training property prediction, molecule generation, or retrosynthesis models. Claude Code CX Codex Cursor +1 1,900installs datamol K-Dense-AI skill Guides an agent through molecular data work with datamol and RDKit, from SMILES parsing to descriptors, clustering, and 3D conformers. Claude Code CX Codex Cursor +1 1,900installs deepchem K-Dense-AI skill Builds molecular property prediction and MoleculeNet pipelines in DeepChem 2.8.0. Useful for SMILES featurization and scaffold-based ML. Claude Code CX Codex Cursor +1 1,900installs rdkit K-Dense-AI skill Guides coding agents through cheminformatics tasks in Python, including SMILES parsing, descriptor calculations, and 3D coordinate generation. Claude Code CX Codex Cursor +1 1,900installs