Data Science & ML Agent Skills

FluidSim CFD Simulator

Simulates high-performance computational fluid dynamics using Python-based pseudospectral methods and MPI support.

Vector Similarity Search Patterns

Implement high-performance similarity search and vector retrieval patterns across multiple database providers.

FluidSim CFD Framework

Simulates complex fluid dynamics using high-performance Python pseudospectral solvers for Navier-Stokes and geophysical flows.

Hybrid Search Implementation

Combines vector similarity and keyword-based search to improve retrieval accuracy in RAG systems and search engines.

DeepChem Molecular ML

Applies advanced machine learning to chemistry, biology, and materials science for drug discovery and molecular property prediction.

Prompt Engineering Patterns

Master advanced prompt engineering techniques to maximize LLM performance, reliability, and controllability in production applications.

DeepChem Molecular Machine Learning

Applies machine learning to chemistry, biology, and materials science for drug discovery and molecular property prediction.

COBRApy Metabolic Modeling

Performs constraint-based reconstruction and analysis of metabolic models for systems biology and metabolic engineering.

SimPy Simulation Engine

Builds process-based discrete-event simulations in Python to model complex systems, resource contention, and queue behaviors.

SimPy Simulation Engine

Builds complex discrete-event simulations in Python to model systems with processes, queues, and shared resources.

gget Bioinformatics Tool

Streamlines bioinformatics workflows by providing a unified CLI and Python interface to over 20 genomic and proteomic databases.

SimPy Simulation Explorer

Models and simulates complex discrete-event systems using Python generator functions and shared resource management.

Arboreto Bioinformatics Analysis

Infers large-scale gene regulatory networks from transcriptomics data using scalable GRNBoost2 and GENIE3 algorithms.

Plotly Data Visualization

Generates interactive, publication-quality scientific and statistical charts using the Python Plotly library.

DiffDock Molecular Docking

Predicts high-accuracy 3D protein-ligand binding poses using diffusion-based deep learning for structure-based drug discovery.

Plotly Visualization

Generates interactive, publication-quality scientific and statistical visualizations using the Plotly Python library.

Cirq Quantum Computing

Builds, simulates, and optimizes quantum circuits for Google Quantum AI and other leading hardware providers.

COBRApy Bioinformatics

Performs constraint-based reconstruction and analysis of metabolic models for systems biology and metabolic engineering.

Evolutionary Scale Modeling (ESM)

Provides comprehensive tools for protein sequence generation, structure prediction, and representation learning using ESM3 and ESM C models.

Universal Data Visualization

Generates publication-quality scientific plots and charts using Matplotlib and Seaborn for local execution.

Datamol Cheminformatics

Simplifies molecular cheminformatics and drug discovery workflows using a Pythonic interface for RDKit.

ESM Protein Engineering Toolkit

Facilitates advanced protein design, structure prediction, and representation learning using ESM3 and ESM C models.

Data Versioning Refactor

Implements lightweight dataset tracking and reproducibility patterns to ensure data changes are explicit and traceable.

Datamol Cheminformatics

Simplifies molecular cheminformatics workflows with a Pythonic interface for RDKit, handling molecular standardization, descriptors, and 3D conformers.

Chroma Vector Database

Integrates ChromaDB to store embeddings and perform high-performance semantic search for AI applications.

Excel Analysis

Analyzes, cleans, and visualizes Excel spreadsheet data using Python libraries like pandas and openpyxl.

Cirq Quantum Computing

Architects, simulates, and optimizes quantum circuits for execution on high-performance simulators and real quantum hardware using Google's open-source framework.

Universal Data Transformation

Cleans, reshapes, and preprocesses datasets locally using pandas, numpy, and sklearn for any LLM provider.

GEO Database Access

Access and download NCBI Gene Expression Omnibus (GEO) datasets for transcriptomics and genomics research.

AI Multimodal Processing

Processes and generates multimedia content including audio, video, images, and documents using the Google Gemini API.