AI Agent Skills

Notebook-integrated tools for molecular simulation and visualization

Working with molecular structures in pandas DataFrames

3Dmol.js WebGL molecular visualization emitted as self-contained HTML. Render structures (PDB/SDF/XYZ/MOL2/cube) with stick, sphere, cartoon, line, and surface styles; a…

Use when evaluating biology grant ideas in the Chinese funding context (NSFC, MOST, etc.) — diagnosing project legitimacy, mechanism-centered scientific questions, revie…

A comprehensive library for computational molecular biology

Deep learning meets molecular dynamics.

Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 160,000+ scientists worldwide. 140 ready-to-use skills plus 100+ scientific data…

Comprehensive molecular biology toolkit. Use for sequence manipulation, file parsing (FASTA/GenBank/PDB), phylogenetics, and programmatic NCBI/PubMed access (Bio.Entrez)…

Dealing with all unstructured data, such as reverse image search, audio search, molecular search, video analysis, question and answer systems, NLP, etc.

Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featuriza…

Constraint-based metabolic modeling (COBRA). FBA, FVA, gene knockouts, flux sampling, SBML models, for systems biology and metabolic engineering analysis.

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

Review academic papers for correctness, quality, and novelty using OpenJudge's multi-stage pipeline. Supports PDF files and LaTeX source packages (.tar.gz/.zip). Covers…

Python package for graph neural networks in chemistry and biology

Open-source data lakehouse for biology. Query, trace & validate with a lineage-native lakehouse that supports bio-formats, registries & ontologies. 🍊YC S22

Search arXiv preprint repository for papers in physics, mathematics, computer science, quantitative biology, and related fields.