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Research

Scientific computing and academic tools.

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bioinformatics
124

scvi-tools

Deep generative models for single-cell omics; use when you need probabilistic batch correction (scVI), transfer learning, uncertainty-aware differential expression, or multimodal integration (totalVI/MultiVI).

aipoch
aipoch
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open
bioinformatics
124

scikit-bio

A Python bioinformatics toolkit for sequence, phylogeny, and microbiome/community-ecology analysis; use it when you need to compute diversity/ordination/statistics from biological data and standard formats (FASTA/FASTQ/Newick/BIOM).

aipoch
aipoch
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open
bioinformatics
124

scanpy

Standard single-cell RNA-seq analysis pipeline. For quality control (QC), normalization, dimensionality reduction (PCA/UMAP/t-SNE), clustering, differential expression analysis, and visualization. Best suited for exploratory single-cell transcriptomics analysis using established workflows. For deep learning models, use scvi-tools; for data format issues, use anndata.

aipoch
aipoch
research
open
bioinformatics
124

pysam

Genomic file toolkit. For reading/writing SAM/BAM/CRAM alignment files, VCF/BCF variant files, FASTA/FASTQ sequences, extracting regions, calculating coverage, suitable for NGS data processing pipelines.

aipoch
aipoch
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open
bioinformatics
124

pydeseq2

Differential gene expression analysis for bulk RNA-seq count matrices using a DESeq2-like workflow in Python; use when you need Wald tests, FDR correction, and optional LFC shrinkage for condition/batch/covariate designs.

aipoch
aipoch
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open
bioinformatics
124

phylogenetic-tree-styler

Analyze data with `phylogenetic-tree-styler` using a reproducible workflow, explicit validation, and structured outputs for review-ready interpretation.

aipoch
aipoch
research
open
bioinformatics
124

pathology-roi-selector

Use pathology roi selector for data analysis workflows that need structured execution, explicit assumptions, and clear output boundaries.

aipoch
aipoch
research
open
bioinformatics
124

pathml

A full-featured computational pathology toolkit for advanced WSI analysis, including multiplexed immunofluorescence (CODEX, Vectra), nuclei segmentation, tissue graph construction, and machine learning model training on pathology data. Supports over 160 slide formats. For simple tile extraction from H&E slides, histolab may be simpler.

aipoch
aipoch
research
open
computational-chemistry
124

reagent-expiry-alert

Scan reagent barcodes or IDs, log expiration dates, and generate multi-level alerts before reagent expiry to support laboratory inventory management.

aipoch
aipoch
research
open
computational-chemistry
124

medication-reconciliation

Compare patient pre-admission medication lists with inpatient orders to automatically identify omitted or duplicated medications and improve medication safety.

aipoch
aipoch
research
open
computational-chemistry
124

ebm-calculator

Evidence-Based Medicine diagnostic test calculator. Computes sensitivity, specificity, PPV, NPV, likelihood ratios, NNT, and pre/post-test probability from 2x2 contingency table inputs.

aipoch
aipoch
research
open
computational-chemistry
124

datamol

A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.

aipoch
aipoch
research
open
computational-chemistry
124

chemical-storage-sorter

Sort laboratory chemicals into safe storage groups by hazard classification (acids, bases, oxidizers, flammables, toxics). Identifies incompatible pairs, generates storage plans with warnings, and supports OSHA/NFPA compliance for lab safety.

aipoch
aipoch
research
open
computational-chemistry
124

buffer-calculator

Calculate precise buffer recipes with accurate mass and volume measurements for molecular biology and biochemistry. Supports PBS, RIPA, and TAE with concentration scaling, stock solution preparation, pH adjustment guidance, and step-by-step protocols.

aipoch
aipoch
research
open
computational-chemistry
124

adaptyv

Cloud laboratory platform for automated protein testing and validation; use when you have designed protein sequences and need wet-lab experimental validation (e.g., binding, expression, thermostability, enzyme activity) and API-based submission/status/result retrieval.

aipoch
aipoch
research
open
computational-chemistry
124

zinc-database

Access the ZINC (230M+ purchasable compounds) database when you need to look up compounds by ZINC ID/SMILES, run similarity/analog searches, or download 3D ready-to-dock structures for virtual screening and drug discovery.

aipoch
aipoch
research
open
computational-chemistry
124

pubchem-database-skill

Programmatic access to the PubChem database (via PUG-REST API and PubChemPy) for searching chemical compounds, retrieving physicochemical properties, performing structure similarity/substructure searches, and obtaining bioactivity data.

aipoch
aipoch
research
open
computational-chemistry
124

open-source-license-check

Check if referenced bioinformatics software/code licenses allow commercial use (GPL vs MIT, etc.).

aipoch
aipoch
research
open
computational-chemistry
124

medchem

Medicinal chemistry screening filters for compound prioritization; use when you need to apply drug-likeness rules, PAINS/structural alerts, and complexity metrics to triage or optimize libraries.

aipoch
aipoch
research
open
computational-chemistry
124

drug-interaction-checker

Check for interactions between multiple medications, including severity classification and mechanism explanations.

aipoch
aipoch
research
open
computational-chemistry
124

diffdock-molecular-docking

Diffusion-based molecular docking to predict 3D ligand–protein binding poses (blind docking) with confidence scoring; use when you need pose prediction for drug discovery or virtual screening.

aipoch
aipoch
research
open
computational-chemistry
124

chembl-database

Query the ChEMBL database for bioactive molecules, targets, bioactivities, and approved drugs; use this when you need to filter by physicochemical properties (e.g., MW, LogP), chemical structure (SMILES), or retrieve drug mechanism information.

aipoch
aipoch
research
open
computational-chemistry
124

western-blot-quantifier

Automatically identify Western Blot gel bands, perform densitometric analysis, and calculate normalized values relative to loading controls.

aipoch
aipoch
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