computational-chemistry
124
toxicity-structure-alert
Analyze data with `toxicity-structure-alert` using a reproducible workflow, explicit validation, and structured outputs for review-ready interpretation.
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computational-chemistry
124
smiles-de-salter
Analyze data with `smiles-de-salter` using a reproducible workflow, explicit validation, and structured outputs for review-ready interpretation.
aipoch
research
computational-chemistry
124
rowan
Cloud-based quantum chemistry platform providing a Python API. Preferred for computational chemistry workflows including pKa prediction, geometry optimization, conformational search, molecular property calculations, protein-ligand docking (AutoDock Vina), and AI protein cofolding (Chai-1, Boltz-1/2). Suitable for tasks involving quantum chemistry calculations, molecular property prediction, DFT or semi-empirical methods, neural network potentials (AIMNet2), protein-ligand binding prediction, or automated computational chemistry pipelines. Provides cloud computing resources without local installation.
aipoch
research
computational-chemistry
124
quadas-c-assessment-for-diagnostic-accuracy-studies
Automated bias assessment for diagnostic accuracy studies using QUADAS-C criteria. Requires full text input.
aipoch
research
computational-chemistry
124
rct-bias-assessment-rob2
Automates Risk of Bias 2 (ROB2) assessment for RCT papers by analyzing text against specific domains and synthesizing a report. Use when you need to assess the quality of a clinical trial paper or evaluate risk of bias.
aipoch
research
computational-chemistry
124
preclinical-pkpd-analyst
Use preclinical pkpd analyst for data analysis workflows that need structured execution, explicit assumptions, and clear output boundaries.
aipoch
research
computational-chemistry
124
outcome-extraction-for-clinical-trials
Clinical research outcome extraction for meta-analysis. Use when users need to extract outcome measures (binary, continuous, or survival data) from clinical research papers for systematic review and meta-analysis. Handles both database lookup by PMID and real-time LLM extraction.
aipoch
research
computational-chemistry
124
lipinski-rule-filter
Filter compound libraries based on Lipinski's Rule of Five for drug-likeness.
aipoch
research
computational-chemistry
124
imaging-data-commons
Use idc-index to query and download public cancer imaging data from NCI Imaging Data Commons. Used to access large-scale radiology (CT, MR, PET) and pathology datasets for AI training or research. No authentication required. Supports metadata querying, in-browser visualization, and license checking.
aipoch
research
computational-chemistry
124
diagnostic-study-quality-assessment-quadas-2
Analyzes clinical diagnostic accuracy studies for bias using the QUADAS-2 tool. Use when Claude needs to assess the quality, risk of bias, or applicability of diagnostic accuracy studies (e.g., "Assess this paper using QUADAS-2").
aipoch
research
computational-chemistry
124
crispr-screen-analyzer
Process CRISPR screening data to identify essential genes and hit candidates. Performs quality control, statistical analysis (RRA), and hit calling for pooled CRISPR screens including viability screens and drug resistance/sensitivity studies.
aipoch
research
computational-chemistry
124
bioservices
Unified Python access to 40+ bioinformatics web services; use when you need to query multiple databases (e.g., UniProt/KEGG/ChEMBL/Reactome) with one consistent API in a single workflow, especially for cross-database analysis and identifier mapping.
aipoch
research
computational-chemistry
124
adme-property-predictor
Analyze data with `adme-property-predictor` using a reproducible workflow, explicit validation, and structured outputs for review-ready interpretation.
aipoch
research
computational-chemistry
124
3d-molecule-ray-tracer
Generate photorealistic rendering scripts for PyMOL and UCSF ChimeraX.
aipoch
research
lab-tools
124
cw-beacon
Control the CW (Morse code) beacon on the Raspberry Pi test instrument. Uses GPCLK hardware clock generator on GPIO 5/6 to produce a square-wave RF carrier in the 80m band (~3.5-4.0 MHz), keyed with Morse code at configurable WPM. Use for direction finder testing, RF beacon generation, or Morse transmission. Triggers on "CW beacon", "Morse beacon", "direction finder", "80m signal", "GPCLK", "RF carrier".
SensorsIot
research
lab-tools
124
protocol-standardization
Standardize fragmented experimental steps into reproducible protocol documents when you need method organization, lab SOP drafting, or cross-operator reproducibility; missing parameters must be explicitly marked as "To be supplemented/Not provided".
aipoch
research
lab-tools
124
arrive-guideline-architect
Generate ARRIVE 2.0 compliant animal research protocols with structured experimental design, sample size calculations, and reporting checklists. Ensures transparency, reproducibility, and ethical compliance in in vivo studies.
aipoch
research
lab-tools
124
waste-disposal-guide
Guide for disposing specific chemical wastes into the correct colored waste containers, with safety precautions and regulatory compliance notes.
aipoch
research
lab-tools
124
microscopy-scale-bar-adder
Add accurate, publication-ready scale bars to microscopy images given pixel-to-unit calibration data.
aipoch
research
lab-tools
124
medical-unit-converter
Convert medical laboratory values between units (mg/dL to mmol/L, etc.) with formula transparency and clinical reference ranges. Supports glucose, cholesterol, creatinine, and hemoglobin conversions.
aipoch
research
lab-tools
124
lab-result-interpretation
A medical assistant tool that transforms complex biochemical laboratory test results into clear, patient-friendly explanations with safety disclaimers and severity flags.
aipoch
research