Skill UI

RDKit delivers a Python-based cheminformatics toolkit for parsing SMILES/SDF, computing descriptors, generating 2D/3D coordinates, fingerprinting, searching substructures, managing reactions, and visualizing molecules, ideal for drug discovery and computational chemistry workflows.

Cloud-native Rowan orchestrates medicinal chemistry and molecular modeling pipelines via a Python API, offering pKa prediction, docking, descriptors, dynamics, and AI-driven structure workflows for scalable batch screening without local HPC.

This skill analyzes Active Directory (AD) Access Control Lists (ACLs) to detect dangerous misconfigurations. It uses the ldap3 Python library to query domain controllers, parse security descriptors (SDDL), and identify instances where non-privileged users or groups are granted dangerous permissions like GenericAll, WriteDACL, or WriteOwner on sensitive objects. Essential for security incident response and privilege escalation path discovery.

Pythonic wrapper around RDKit for drug discovery workflows: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, and parallel batch processing. Returns native RDKit Mol objects.

Python cheminformatics toolkit for fine-grained molecular control: SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D coordinate generation, similarity, reactions, and visualization.