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MarieLynneBlockMarieLynneBlock/arcanum-artifex/skills/scientific/deepchem/SKILL.md

deepchem

Skill4 starsChanged 2 months agoNo licenceView on GitHub

Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.

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  • rm2thaddeusSkill

    scientific-visualization

    Meta-skill for publication-ready figures. Use when creating journal submission figures requiring multi-panel layouts, significance annotations, error bars, colorblind-safe palettes, and specific journal formatting (Nature, Science, Cell). Orchestrates matplotlib/seaborn/plotly with publication styles. For quick exploration use seaborn or plotly directly.

    Also in 5 projects that use this

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13 rules. 11 are common, 0 are distinctive, and 2 are very specific to this project.

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