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Science Comp.

Simulation and numerical analysis.

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scientific-computing
37

chemical-analyst

Senior chemical analyst with 15+ years in analytical chemistry. Expert in HPLC, GC-MS, ICP-MS, method development, validation per ICH Q2(R2), and quality control. Specializes in pharmaceutical, environmental, and food analysis. Use when: analytical-chemistry, HPLC, GC-MS, method-validation, quality-control.

theneoai
theneoai
research
open
scientific-computing
37

synthetic-biologist

Expert-level Synthetic Biologist specializing in genetic circuit design, CRISPR-based genome editing, metabolic pathway engineering, and scale-up of microbial cell factories. Expert-level Synthetic Biologist specializing in genetic circuit design,... Use when: synthetic-biology, CRISPR, gene-circuit, metabolic-engineering, microbial-cell-factory.

theneoai
theneoai
research
open
scientific-computing
37

chemical-process-engineer

Expert chemical process engineer with 15+ years in petrochemicals, pharmaceuticals, specialty chemicals. Specializes in process simulation (Aspen/HYSYS), reactor design, heat integration, safety-by-design, and plant optimization. Use when: chemical-engineering, process-design, reactor-design, optimization, safety.

theneoai
theneoai
research
open
scientific-computing
37

bioinformatics-scientist

Elite bioinformatics scientist specializing in genomic data analysis, NGS pipeline development, variant calling, transcriptomics, and precision medicine. Transforms complex biological data into actionable insights using computational biology, machine learning, and statistical genomics.

theneoai
theneoai
research
open
scientific-computing
36

rd-management

R&D management expertise for R&D portfolio management, technology roadmapping, research methodology, patent strategy, lab management, academic partnerships, and regulatory pathways. Use when managing research programs, planning technology roadmaps, or building patent portfolios.

travisjneuman
travisjneuman
research
open
scientific-computing
36

knowledge-frames

Minsky frames, Drescher schemas, interchange registry, and MOOLLM K-lines — distinct layers.

SimHacker
SimHacker
research
open
scientific-computing
35

resonance-researcher

Research Engineer Specialist. Use this for deep technical investigations, comparing options, and synthesizing complex information.

manusco
manusco
research
open
scientific-computing
35

deep-research

Conduct deep research on any topic using parallel subagents and web tools (web_search, web_fetch, playwright). Use for queries that require comprehensive research from multiple perspectives.

liangdabiao
liangdabiao
research
open
scientific-computing
35

research-subagent

Internal skill - Research subagent that executes focused research tasks using web tools. Called automatically by the deep-research lead agent.

liangdabiao
liangdabiao
research
open
scientific-computing
34

research-lookup

Look up current research information using Perplexity's Sonar Pro or Sonar Reasoning Pro models through OpenRouter. Automatically selects the best model based on query complexity. Search academic papers, recent studies, technical documentation, and general research information with citations.

ovachiever
ovachiever
research
open
scientific-computing
34

clinical-decision-support

Generate professional clinical decision support (CDS) documents for pharmaceutical and clinical research settings, including patient cohort analyses (biomarker-stratified with outcomes) and treatment recommendation reports (evidence-based guidelines with decision algorithms). Supports GRADE evidence grading, statistical analysis (hazard ratios, survival curves, waterfall plots), biomarker integration, and regulatory compliance. Outputs publication-ready LaTeX/PDF format optimized for drug development, clinical research, and evidence synthesis.

ovachiever
ovachiever
research
open
scientific-computing
33

smiles-to-iupac

将 SMILES 字符串转换为 IUPAC 化学名称。使用 PubChem、NCI/CADD、STOUT、RDKit-InChI 多种方法智能转换。

InternScience
InternScience
research
open
scientific-computing
33

mol-2d-viewer

将 SMILES 或化学名称转换为分子 2D 结构图。支持普通分子和聚合物 2D 结构绘制。

InternScience
InternScience
research
open
scientific-computing
33

mol-image-to-smiles

将分子结构图片转换为 SMILES 字符串。使用 DECIMER 和 MolNextR 模型进行图像识别。

InternScience
InternScience
research
open
scientific-computing
32

biomni

Autonomous biomedical AI agent framework for executing complex research tasks across genomics, drug discovery, molecular biology, and clinical analysis. Use this skill when conducting multi-step biomedical research including CRISPR screening design, single-cell RNA-seq analysis, ADMET prediction, GWAS interpretation, rare disease diagnosis, or lab protocol optimization. Leverages LLM reasoning with code execution and integrated biomedical databases.

lifangda
lifangda
research
open
scientific-computing
32

neurokit2

Comprehensive biosignal processing toolkit for analyzing physiological data including ECG, EEG, EDA, RSP, PPG, EMG, and EOG signals. Use this skill when processing cardiovascular signals, brain activity, electrodermal responses, respiratory patterns, muscle activity, or eye movements. Applicable for heart rate variability analysis, event-related potentials, complexity measures, autonomic nervous system assessment, psychophysiology research, and multi-modal physiological signal integration.

lifangda
lifangda
research
open
scientific-computing
32

aeon

Time series machine learning toolkit for classification, regression, clustering, forecasting, anomaly detection, segmentation, and similarity search. Use this skill when working with temporal data, performing time series analysis, building predictive models on sequential data, or implementing workflows that involve distance metrics (DTW), transformations (ROCKET, Catch22), or deep learning for time series. Applicable for tasks like ECG classification, stock price forecasting, sensor anomaly detection, or activity recognition from wearable devices.

lifangda
lifangda
research
open
scientific-computing
32

pydeseq2

Differential gene expression analysis (Python DESeq2). Identify DE genes from bulk RNA-seq counts, Wald tests, FDR correction, volcano/MA plots, for RNA-seq analysis.

lifangda
lifangda
research
open
scientific-computing
32

scvi-tools

This skill should be used when working with single-cell omics data analysis using scvi-tools, including scRNA-seq, scATAC-seq, CITE-seq, spatial transcriptomics, and other single-cell modalities. Use this skill for probabilistic modeling, batch correction, dimensionality reduction, differential expression, cell type annotation, multimodal integration, and spatial analysis tasks.

lifangda
lifangda
research
open
scientific-computing
32

tooluniverse

Use this skill when working with scientific research tools and workflows across bioinformatics, cheminformatics, genomics, structural biology, proteomics, and drug discovery. This skill provides access to 600+ scientific tools including machine learning models, datasets, APIs, and analysis packages. Use when searching for scientific tools, executing computational biology workflows, composing multi-step research pipelines, accessing databases like OpenTargets/PubChem/UniProt/PDB/ChEMBL, performing tool discovery for research tasks, or integrating scientific computational resources into LLM workflows.

lifangda
lifangda
research
open
scientific-computing
32

deepchem

Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.

lifangda
lifangda
research
open
scientific-computing
32

benchling-integration

Benchling R&D platform integration. Access registry (DNA, proteins), inventory, ELN entries, workflows via API, build Benchling Apps, query Data Warehouse, for lab data management automation.

lifangda
lifangda
research
open
scientific-computing
32

biopython

Primary Python toolkit for molecular biology. Preferred for Python-based PubMed/NCBI queries (Bio.Entrez), sequence manipulation, file parsing (FASTA, GenBank, FASTQ, PDB), advanced BLAST workflows, structures, phylogenetics. For quick BLAST, use gget. For direct REST API, use pubmed-database.

lifangda
lifangda
research
open
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