home/categories/scientific-computing
category focus

Science Comp.

Simulation and numerical analysis.

1650টি স্কিলall categories
sorting
stars
current ordering strategy
query
all entries
refine the visible subset
scientific-computing
24

cellxgene-census

Query the CELLxGENE Census (61M+ cells) programmatically. Use when you need expression data across tissues, diseases, or cell types from the largest curated single-cell atlas. Best for population-scale queries, reference atlas comparisons. For analyzing your own data use scanpy or scvi-tools.

oimiragieo
oimiragieo
research
open
scientific-computing
24

chembl-database

Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.

oimiragieo
oimiragieo
research
open
scientific-computing
24

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.

oimiragieo
oimiragieo
research
open
scientific-computing
24

clinpgx-database

Access ClinPGx pharmacogenomics data (successor to PharmGKB). Query gene-drug interactions, CPIC guidelines, allele functions, for precision medicine and genotype-guided dosing decisions.

oimiragieo
oimiragieo
research
open
scientific-computing
24

clinvar-database

Query NCBI ClinVar for variant clinical significance. Search by gene/position, interpret pathogenicity classifications, access via E-utilities API or FTP, annotate VCFs, for genomic medicine.

oimiragieo
oimiragieo
research
open
scientific-computing
24

molfeat

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

oimiragieo
oimiragieo
research
open
scientific-computing
24

scientific-data-extraction

Extract structured data from scientific literature across multiple formats (PDF, HTML, images, plain text). Auto-detects scientific domain to recommend specialized tools for chemistry/materials when appropriate. Use this skill when: extracting numerical data from papers, digitizing graphs/plots, parsing tables from PDFs, extracting chemical properties or reactions, or converting unstructured scientific text to structured formats. Key capabilities: format detection and routing, domain-specific extraction (chemistry/materials), multi-method validation, table extraction, graph digitization, LLM-enhanced extraction with verification, confidence scoring.

jkitchin
jkitchin
research
open
scientific-computing
24

tumor-clonal-evolution-agent

AI-powered analysis of tumor clonal architecture, subclonal dynamics, and evolutionary trajectories from multi-region sequencing and longitudinal liquid biopsy data.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

pan-cancer-multiomics-agent

AI-powered pan-cancer analysis integrating genomic, transcriptomic, proteomic, and epigenomic data for cancer subtyping, driver identification, and cross-cancer pattern discovery.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

organoid-drug-response-agent

AI-powered analysis of patient-derived organoid (PDO) drug screening for personalized oncology treatment selection and biomarker discovery.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-longitudinal-monitoring

Tracks ctDNA dynamics over time for treatment response monitoring using serial liquid biopsy samples. Analyzes tumor fraction trends, mutation clearance kinetics, and defines molecular response criteria. Use when monitoring patients during therapy or detecting molecular relapse before clinical progression.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

liquid-biopsy-analytics-agent

Comprehensive analysis of liquid biopsy data (ctDNA, CTCs) for cancer detection, MRD monitoring, and response tracking.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

cancer-metabolism-agent

AI-powered analysis of cancer metabolic reprogramming including Warburg effect, glutamine addiction, lipid metabolism, and metabolic vulnerabilities for therapeutic targeting.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-multi-omics-mofa-integration

Multi-Omics Factor Analysis (MOFA2) for unsupervised integration of multiple data modalities. Identifies shared and view-specific sources of variation. Use when integrating RNA-seq, proteomics, methylation, or other omics to discover latent factors driving biological variation across modalities.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-multi-omics-data-harmonization

Preprocessing and harmonization of multi-omics data before integration. Covers normalization, batch correction, feature alignment, and missing value handling across data types. Use when preparing multi-omics datasets for integration analysis.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

crispr-offtarget-predictor

Predicts potential off-target sites for a given sgRNA sequence using mismatch analysis.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-copy-number-cnvkit-analysis

Detect copy number variants from targeted/exome sequencing using CNVkit. Supports tumor-normal pairs, tumor-only, and germline CNV calling. Use when detecting CNVs from WES or targeted panel sequencing data.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

single-cell-rna-qc

Perform quality control on single-cell RNA-seq data (.h5ad, 10x .h5, or 10x directories) using scverse best practices, MAD-based filtering (log1p counts/genes, high-tail MT%), and generate filtered AnnData plus QC plots and summary JSON. Use when users request scRNA-seq QC, filtering low-quality cells, data quality assessment, or QC visualizations.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

agentd-drug-discovery

Use the AgentD workflow to mine evidence, design molecules, and rank candidates with SAR plus ADMET annotations for early drug discovery tasks.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-data-visualization-upset-plots

Create UpSet plots to visualize set intersections as an alternative to Venn diagrams using UpSetR or upsetplot. Use when comparing overlapping gene sets, peak sets, or sample groups with more than 3 sets.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-data-visualization-circos-plots

Create circular genome visualizations with Circos and pyCircos. Display multi-track data including ideograms, genes, variants, CNVs, and interaction arcs. Use when creating circular genome visualizations.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

virtual-lab-agent

AI-powered virtual laboratory orchestrating multi-agent scientific research teams for autonomous hypothesis generation, experimental design, and validation in biomedical research.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-rna-quantification-count-matrix-qc

Quality control and exploration of RNA-seq count matrices before differential expression. Check for outliers, batch effects, and sample relationships. Use when assessing count matrix quality before DE analysis.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-systems-biology-metabolic-reconstruction

Build genome-scale metabolic models from genome sequences using CarveMe and gapseq for automated reconstruction. Generate draft models ready for curation and analysis. Use when creating metabolic models for organisms without existing models.

mdbabumiamssm
mdbabumiamssm
research
open
Previous
Page 41 / 69
Next