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Chemistry

Molecular modeling and reactions.

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computational-chemistry
3.7K

residues

Problem-solving strategies for residues in complex analysis

parcadei
parcadei
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open
computational-chemistry
3.7K

boundary-value-problems

Problem-solving strategies for boundary value problems in odes pdes

parcadei
parcadei
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open
computational-chemistry
3.7K

math-model-selector

Routes problems to appropriate mathematical frameworks using expert heuristics

parcadei
parcadei
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open
computational-chemistry
3.7K

second-order-odes

Problem-solving strategies for second order odes in odes pdes

parcadei
parcadei
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open
computational-chemistry
3.7K

first-order-odes

Problem-solving strategies for first order odes in odes pdes

parcadei
parcadei
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open
computational-chemistry
2.7K

homeassistant-bridge

Bidirectional Home Assistant integration — HA cameras in, detection results out

SharpAI
SharpAI
research
open
computational-chemistry
2.1K

mutant

Run mutant, read mutation reports, fix alive mutations, and verify coverage. Use when running mutation testing or responding to alive mutations.

mbj
mbj
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open
computational-chemistry
2K

azure-ai-anomalydetector-java

Build anomaly detection applications with Azure AI Anomaly Detector SDK for Java. Use when implementing univariate/multivariate anomaly detection, time-series analysis, or AI-powered monitoring.

microsoft
microsoft
research
open
computational-chemistry
2K

bio-causal-genomics-fine-mapping

Identify likely causal variants within GWAS loci using SuSiE for sum of single effects regression and FINEMAP for shotgun stochastic search. Computes posterior inclusion probabilities and credible sets to prioritize variants for functional follow-up. Use when narrowing GWAS association signals to candidate causal variants or building credible sets for functional validation.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

bio-chipseq-differential-binding

Differential binding analysis using DiffBind. Compare ChIP-seq peaks between conditions with statistical rigor. Requires replicate samples. Outputs differentially bound regions with fold changes and p-values. Use when comparing ChIP-seq binding between conditions.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

bio-methylation-dmr-detection

Differentially methylated region (DMR) detection using methylKit tiles, bsseq BSmooth, and DMRcate. Use when identifying contiguous genomic regions with methylation differences between experimental conditions or cell types.

FreedomIntelligence
FreedomIntelligence
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open
computational-chemistry
2K

bio-methylation-methylkit

DNA methylation analysis with methylKit in R. Import Bismark coverage files, filter by coverage, normalize samples, and perform statistical comparisons. Use when analyzing single-base methylation patterns, comparing samples, or preparing data for DMR detection.

FreedomIntelligence
FreedomIntelligence
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open
computational-chemistry
2K

bio-variant-calling-clinical-interpretation

Clinical variant interpretation using ClinVar, ACMG guidelines, and pathogenicity predictors. Prioritize variants for diagnostic and research applications. Use when interpreting clinical significance of variants.

FreedomIntelligence
FreedomIntelligence
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open
computational-chemistry
2K

medical-research-toolkit

Query 14+ biomedical databases for drug repurposing, target discovery, clinical trials, and literature research. Access ChEMBL, PubMed, ClinicalTrials.gov, OpenTargets, OpenFDA, OMIM, Reactome, KEGG, UniProt, and more through a unified MCP endpoint. Use when researching disease targets, finding approved/investigational drugs, searching clinical evidence, discovering genetic associations, or analyzing compound bioactivity data.

FreedomIntelligence
FreedomIntelligence
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open
computational-chemistry
2K

tooluniverse-adverse-event-detection

Detect and analyze adverse drug event signals using FDA FAERS data, drug labels, disproportionality analysis (PRR, ROR, IC), and biomedical evidence. Generates quantitative safety signal scores (0-100) with evidence grading. Use for post-market surveillance, pharmacovigilance, drug safety assessment, adverse event investigation, and regulatory decision support.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

tooluniverse-binder-discovery

Discover novel small molecule binders for protein targets using structure-based and ligand-based approaches. Creates actionable reports with candidate compounds, ADMET profiles, and synthesis feasibility. Use when users ask to find small molecules for a target, identify novel binders, perform virtual screening, or need hit-to-lead compound identification.

FreedomIntelligence
FreedomIntelligence
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open
computational-chemistry
2K

tooluniverse-chemical-compound-retrieval

Retrieves chemical compound information from PubChem and ChEMBL with disambiguation, cross-referencing, and quality assessment. Creates comprehensive compound profiles with identifiers, properties, bioactivity, and drug information. Use when users need chemical data, drug information, or mention PubChem CID, ChEMBL ID, SMILES, InChI, or compound names.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

tooluniverse-chemical-safety

Comprehensive chemical safety and toxicology assessment integrating ADMET-AI predictions, CTD toxicogenomics, FDA label safety data, DrugBank safety profiles, and STITCH chemical-protein interactions. Performs predictive toxicology (AMES, DILI, LD50, carcinogenicity), organ/system toxicity profiling, chemical-gene-disease relationship mapping, regulatory safety extraction, and environmental hazard assessment. Use when asked about chemical toxicity, drug safety profiling, ADMET properties, environmental health risks, chemical hazard assessment, or toxicogenomic analysis.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

tooluniverse-clinical-trial-matching

AI-driven patient-to-trial matching for precision medicine and oncology. Given a patient profile (disease, molecular alterations, stage, prior treatments), discovers and ranks clinical trials from ClinicalTrials.gov using multi-dimensional matching across molecular eligibility, clinical criteria, drug-biomarker alignment, evidence strength, and geographic feasibility. Produces a quantitative Trial Match Score (0-100) per trial with tiered recommendations and a comprehensive markdown report. Use when oncologists, molecular tumor boards, or patients ask about clinical trial options for specific cancer types, biomarker profiles, or post-progression scenarios.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

tooluniverse-crispr-screen-analysis

Comprehensive CRISPR screen analysis for functional genomics. Analyze pooled or arrayed CRISPR screens (knockout, activation, interference) to identify essential genes, synthetic lethal interactions, and drug targets. Perform sgRNA count processing, gene-level scoring (MAGeCK, BAGEL), quality control, pathway enrichment, and drug target prioritization. Use for CRISPR screen analysis, gene essentiality studies, synthetic lethality detection, functional genomics, drug target validation, or identifying genetic vulnerabilities.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

tooluniverse-drug-drug-interaction

Comprehensive drug-drug interaction (DDI) prediction and risk assessment. Analyzes interaction mechanisms (CYP450, transporters, pharmacodynamic), severity classification, clinical evidence grading, and provides management strategies. Supports single drug pairs, polypharmacy analysis (3+ drugs), and alternative drug recommendations. Use when users ask about drug interactions, medication safety, polypharmacy risks, or need DDI assessment for clinical decision support.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

tooluniverse-drug-repurposing

Identify drug repurposing candidates using ToolUniverse for target-based, compound-based, and disease-driven strategies. Searches existing drugs for new therapeutic indications by analyzing targets, bioactivity, safety profiles, and literature evidence. Use when exploring drug repurposing opportunities, finding new indications for approved drugs, or when users mention drug repositioning, off-label uses, or therapeutic alternatives.

FreedomIntelligence
FreedomIntelligence
research
open
computational-chemistry
2K

tooluniverse-drug-research

Generates comprehensive drug research reports with compound disambiguation, evidence grading, and mandatory completeness sections. Covers identity, chemistry, pharmacology, targets, clinical trials, safety, pharmacogenomics, and ADMET properties. Use when users ask about drugs, medications, therapeutics, or need drug profiling, safety assessment, or clinical development research.

FreedomIntelligence
FreedomIntelligence
research
open
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