Ejecuta cualquier Skill en Manus
con un clic

Ejecuta cualquier Skill en Manus con un clic

cheminformatics

Estrellas34

Forks3

Actualizado1 de julio de 2026 a las 10:02

Cheminformatics (mirrors Claude Science's cheminformatics skill). RDKit for descriptors/fingerprints/similarity and molecule drawing, ChEMBL for bioactivity, SAR/screening. Use for small molecules, SMILES, molecular descriptors, ChEMBL, medicinal chemistry. Needs the sci-bio env (rdkit).

Instalación

Instalar con Codex o Claude Copia este prompt, pégalo en Codex, Claude u otro asistente, y deja que revise la página de la skill y la instale por ti.

Ejecutar en Manus

Fuente

JWM0203

JWM0203/Claude-Science-for-win

Abrir repositorio de GitHub Ver repositorios del creador

Descarga

Ejecutar en Manus

Ocupaciones relacionadasSOC

Basado en la clasificación ocupacional SOC

QuímicosCiencias de la vida, físicas y sociales·SOC 19-2031

SKILL.md

readonly

name	cheminformatics
description	Cheminformatics (mirrors Claude Science's cheminformatics skill). RDKit for descriptors/fingerprints/similarity and molecule drawing, ChEMBL for bioactivity, SAR/screening. Use for small molecules, SMILES, molecular descriptors, ChEMBL, medicinal chemistry. Needs the sci-bio env (rdkit).

cheminformatics

rdkit (descriptors/fingerprints/similarity/drawing) + connectors/chembl.py (compounds/ targets/activity).

Standard workflow

Read molecules (SMILES/SDF, inputs/); standardize with RDKit (desalt, canonicalize SMILES).
Descriptors + Morgan fingerprints + similarity matrix; cluster/screen as needed; write script to outputs/.
Bioactivity: python connectors/chembl.py activities <CHEMBL_ID> for IC50/Ki, noting assay and units.
Figures (molecule grid, SAR, similarity heatmap) via figure-maker.

Hard rules

State units and assay conditions; record standardization steps (reviewer checks).

Más de este repositorio

mismo repositorio

crispr-screen

JWM0203/Claude-Science-for-win

CRISPR screen design & analysis (mirrors Claude Science's CRISPR screen skill). Designs guide libraries, runs enrichment/depletion analysis on read counts, and traces every hit back to its sgRNA support. Use for sgRNA libraries, screen counts, enrichment analysis.

2026-07-0134

data-analysis

JWM0203/Claude-Science-for-win

Reproducible data analysis. Uses pandas/numpy/scipy/statsmodels for cleaning, statistics, and modeling; scripts and random seeds all land in the run, and every reported number is recomputable. Use to analyze tabular/matrix data, run statistical tests, or model.

2026-07-0134

figure-maker

JWM0203/Claude-Science-for-win

Publication-grade figures. Uses matplotlib to generate figures from a script (never hand-drawn, never pasted from an unknown source); each figure has a rerunnable script. Layer the global CCF-Figure skill for figure conventions / top-venue layout. Use to draw paper figures and iterate to publication quality.

2026-07-0134

literature-review

JWM0203/Claude-Science-for-win

Provenance-backed literature review. Searches PubMed / Europe PMC / arXiv (connectors/literature.py), dedupes, synthesizes by theme, and attaches a DOI/PMID to every conclusion. Use when you need a literature review, evidence for a claim, or a related-work section.

2026-07-0134

manuscript

JWM0203/Claude-Science-for-win

Manuscript writing and iteration to publication quality. Organizes IMRaD structure, inserts run-generated figures/tables, manages references, and produces docx/pdf/md. Layer the global docx / doc-coauthoring / pdf skills. Use to write a paper draft, methods, results, and iterate.

2026-07-0134

phylogenetics

JWM0203/Claude-Science-for-win

Phylogenetics & evolution (mirrors Claude Science's phylogenetics skill). MAFFT alignment + IQ-TREE tree building + selection/ancestral reconstruction, results shown next to the sequences that produced them. Use for multiple-sequence alignment, phylogenetic trees, selection analysis.

2026-07-0134

Ejecuta cualquier Skill con un clic