Skills and MCP tagged “rdkit”

rowan K-Dense-AI skill Runs cloud molecular modeling, docking, and pKa prediction pipelines via Python API. Fits computational chemistry workflows without local GPU infrastructure. Claude Code CX Codex Cursor +1 1,900installs pytdc K-Dense-AI skill Integrates Therapeutics Data Commons workflows into coding agents to discover ML datasets, plan task splits, and run molecular oracles safely. Claude Code CX Codex Cursor +1 1,900installs molfeat K-Dense-AI skill Converts molecular structures into fingerprints, descriptors, and embeddings for machine learning, similarity search, and screening. Requires Python 3.11+, RDKit, and PyTorch. Claude Code CX Codex Cursor +1 1,900installs medchem K-Dense-AI skill Filters compound libraries with drug-likeness rules, structural alerts, and complexity checks. Use it when triaging molecular candidates. Claude Code CX Codex Cursor +1 1,900installs 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