Skill UI

Programmatically query ChEMBL bioactive molecules, targets, and approved drugs via the Python client; filter by structure, properties, activities, and indications to support inhibitor hunting or SAR studies for medicinal chemistry.

Qiskit is the world's leading open-source framework for building, optimizing, and executing quantum circuits. It provides comprehensive capabilities for quantum error mitigation, running algorithms on diverse hardware backends (including IBM Quantum and simulators), and supporting applications in chemistry and machine learning. Essential for researchers entering the quantum computing field.

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 technique guides users to use precise chemical compound names, specific concentration values (e.g., "1.5 mg/L"), and taxonomic synonym counts as exact-match search anchors when querying biological literature. By leveraging quotation marks and combining multiple specific terms, it uniquely identifies research papers or species details, greatly improving search precision in biochemistry and botany.

DeepChem is a comprehensive Python library designed for applying machine learning to complex fields like chemistry, materials science, and biology. It enables users to perform molecular property prediction (e.g., ADMET, toxicity), train models using specialized graph neural networks (GNNs), and process diverse molecular formats (SMILES, SDF, FASTA). It provides extensive featurization options, making it foundational for drug discovery and computational chemistry research.

This skill performs comprehensive Exploratory Data Analysis (EDA) on specialized scientific datasets. It supports over 200 file formats across diverse domains, including chemistry (PDB), bioinformatics (FASTA, BAM), microscopy (TIFF), and spectroscopy. The system automatically detects the file type, assesses data quality and integrity, and generates detailed, format-specific markdown reports, providing deep insights and recommending downstream analyses.

A versatile, hardware-agnostic quantum computing framework designed for training quantum circuits and building hybrid quantum-classical models. It provides automatic differentiation, supporting advanced applications in Quantum Machine Learning, Quantum Chemistry (VQE), and variational algorithms, while ensuring portability across major quantum hardware backends (IBM, Google, etc.).

Pymatgen is a comprehensive Python toolkit designed for computational materials science. It enables users to create, analyze, and manipulate complex crystal structures, calculate electronic properties (DOS, band structures), simulate phase transitions, and interact with large material databases like the Materials Project. Ideal for solid-state physics, chemistry, and advanced materials research.

Qiskit is a leading open-source framework for quantum computing. It enables users to build, optimize, and execute complex quantum circuits and algorithms. The platform supports running on various hardware backends, including IBM Quantum, IonQ, and local simulators. Ideal for advanced research in quantum chemistry simulations, variational quantum algorithms (VQE/QAOA), and quantum machine learning.

RDKit is a powerful, open-source cheminformatics library providing extensive Python APIs for molecular analysis and structural manipulation. It supports molecular I/O (SMILES, SDF, InChI), calculating physicochemical descriptors (MW, LogP), generating fingerprints, performing substructure searching, and analyzing stereochemistry. This toolkit is essential for advanced research in drug discovery, computational chemistry, and materials science.

A comprehensive AI tutor for K-12 students covering Physics, Chemistry, and Biology. This skill employs Socratic Questioning, the 5E Model, and phenomenon-based learning to guide students toward scientific discovery. It adapts to various curricula (US, IB, Chinese) and focuses on building deep, conceptual understanding rather than simply providing answers.