Trusted skills for AI agents from official vendors and established maintainers. Every skill is attributed to its author, scanned, and comes with install steps for your AI tool.
10 skills
K-Dense· Community
Process, clean, and compare tandem mass spectra for metabolomics and chemical analysis using matchms.
K-Dense· Community
Builds and troubleshoots TorchDrug 0.2.1 workflows for molecular graphs, protein representation learning, and property prediction.
K-Dense· Community
A comprehensive cheminformatics toolkit for molecular analysis, manipulation, and computational chemistry research.
K-Dense· Community
A Pythonic wrapper for RDKit simplifying molecular cheminformatics tasks like standardization, fingerprinting, and 3D conformer generation.
K-Dense· Community
Rowan is a cloud-native molecular modeling and medicinal-chemistry workflow platform with a Python API. Use for pKa and macropKa prediction, conformer and tautomer ensembles, docking and analogue docking, protein-ligand cofolding, MSA generation, molecular dynamics, permeability, descriptor workflows, and related small-molecule or protein modeling tasks. Ideal for programmatic batch screening, multi-step chemistry pipelines, and workflows that would otherwise require maintaining local HPC/GPU infrastructure.
OpenAIOfficial
Submit compact ChEBI 2.0 API requests for chemical search, compound lookup, ontology traversal, and structure metadata. Use when a user wants concise ChEBI summaries
OpenAIOfficial
Submit compact PubChem PUG REST requests for compound properties, descriptions, assay summaries, and substance metadata. Use when a user wants concise PubChem summaries
NVIDIAOfficial
Use this skill for MolMIM, NVIDIA's BioNeMo NIM microservice for small-molecule latent-space generation and optimization. Invoke for MolMIM, molecular embeddings, hidden states, latent decoding, sampling around a seed SMILES, CMA-ES guided molecule generation, QED or plogP optimization, hosted NVIDIA API calls, or local Docker deployment.
NVIDIAOfficial
Generate novel drug-like molecules using the GenMol NIM microservice. Use for de novo generation, scaffold decoration, motif extension, lead optimization, SAFE notation, QED or LogP ranking, hosted NVIDIA API calls, or local Docker deployment. GenMol takes SAFE notation in the smiles field, not ordinary SMILES.
Google DeepMindOfficial
Query PubChem for chemical properties, structure searches, bioactivity, and safety data using a robust Python wrapper.