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in-silico-perturbation-oracle

Virtual gene knockout simulation using foundation models to predict transcriptional changes

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In Silico Perturbation Oracle

ID: 207
Category: Bioinformatics / Genomics / AI-Driven Drug Discovery
Status: ✅ Production Ready
Version: 1.0.0

⚠️ Note: This tool provides a framework for in silico perturbation analysis. Actual predictions require integration with biological foundation models (Geneformer, scGPT, etc.) and wet lab validation data.


Overview

In Silico Perturbation Oracle is a computational biology tool based on biological foundation models (Geneformer, scGPT, etc.) for performing "virtual gene knockout (Virtual KO)" in silico to predict changes in cellular transcriptome states after specific gene deletions.

This tool provides AI-driven decision support for target screening before wet lab experiments, significantly reducing drug development time and costs.


Features

Function ModuleDescriptionStatus
🧬 Gene Knockout SimulationIn silico KO prediction based on pre-trained models
📊 Differential Expression AnalysisPredict DEGs (Differentially Expressed Genes) after knockout
🔄 Pathway Enrichment AnalysisGO/KEGG pathway change prediction
🎯 Target ScoringMulti-dimensional target scoring and ranking
📈 Visualization ReportGenerate interpretable charts and reports
🔗 Wet Lab InterfaceExport wet lab validation recommendations

Supported Models

ModelDescriptionApplicable Scenarios
GeneformerTransformer-based gene expression foundation modelGeneral gene regulatory network inference
scGPTSingle-cell multi-omics foundation modelSingle-cell level perturbation prediction
scFoundationLarge-scale single-cell foundation modelCross-cell type generalization prediction
CustomUser-defined modelsSpecific disease/tissue customization

Installation

# Basic dependencies
pip install torch transformers scanpy scvi-tools

# Bioinformatics tools
pip install gseapy enrichrpy

# Model-specific dependencies
pip install geneformer scgpt

Usage

Quick Start

# Single gene knockout prediction
python scripts/main.py \
    --model geneformer \
    --genes TP53,BRCA1,EGFR \
    --cell-type "lung_adenocarcinoma" \
    --output ./results/

# Batch target screening
python scripts/main.py \
    --model scgpt \
    --genes-file ./target_genes.txt \
    --cell-type "hepatocyte" \
    --top-k 20 \
    --pathways KEGG,GO_BP \
    --output ./results/

Python API

from in_silico_perturbation_oracle import PerturbationOracle

# Initialize Oracle
oracle = PerturbationOracle(
    model_name="geneformer",
    cell_type="cardiomyocyte"
)

# Execute virtual knockout
results = oracle.predict_knockout(
    genes=["MYC", "KRAS", "BCL2"],
    perturbation_type="complete_ko",  # Complete knockout
    n_permutations=100
)

Metadata

Author@aipoch-ai
Stars4473
Views0
Updated2026-05-01
View Author Profile
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{
  "plugins": {
    "official-aipoch-ai-in-silico-perturbation-oracle-1": {
      "enabled": true,
      "auto_update": true
    }
  }
}
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