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Informatics

For Life Sciences Teams

Multi-agent meeting intelligence that knows your tools. The system tracks 71 tools across 13 categories, from AWS cloud services to RDKit and GROMACS, and recommends them in real time during your team meetings. Three specialist agents (infrastructure, data science, cheminformatics) run in parallel for domain-specific analysis. Capture whiteboard sketches and get structured architectural analysis.

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Meeting Intelligence

Real-time transcription with tool recommendations. The AI agent listens to your discussion and suggests tools from the catalog based on what your team is working on.

Start a meeting
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Tool Catalog

71 tools across 13 categories: AWS services, cheminformatics, proteomics, genomics, data engineering, molecular dynamics, visualization, and lab informatics.

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Whiteboard Capture

Photograph whiteboard diagrams during meetings. Vision AI identifies architecture patterns, data flows, and tool references, then maps them to catalog recommendations.

Available in meetings
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Specialist Agents

Active during informatics meetings

Three domain-specific AI agents analyze your meeting in parallel, each bringing a different lens to the discussion. Their insights appear in the meeting sidebar and are included in post-meeting summaries.

Infrastructure Architect
Cloud services, HPC, networking, security, cost optimization
Data Scientist
Pipelines, ML/AI, analytics, data lake architecture
Cheminformatician
Molecular modeling, docking, QSAR, compound management

How It Works

1

Start a meeting

Open a meeting with the informatics context. The system loads the full tool catalog and activates specialist agents.

2

Discuss your work

Talk about infrastructure, pipelines, tools, and analysis. The AI transcribes and analyzes every 20 seconds.

3

Get recommendations

Tool suggestions appear in real time as the discussion references relevant domains. Snap whiteboard photos for instant analysis.

4

Review summary

Post-meeting summary includes action items, key decisions, and a prioritized list of recommended tools tied to discussion points.

Tool Catalog

71 tools across 13 categories. The meeting agent draws from this catalog for real-time recommendations.

Tools tracked
71
Across all categories
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Categories
13
Cloud to lab informatics
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AWS services
22
Native cloud services
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Open source
32
Community-maintained
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AWS for Life Sciences

21 services across compute, storage, ML, data, and orchestration. These form the foundation for cloud-native scientific computing.

AWS Batch

Managed batch processing at scale. Runs containerized jobs on EC2 or Fargate with automatic provisioning.

HPC workloadsmolecular docking campaignsgenomics pipelines
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AWS ParallelCluster

Open-source cluster management for HPC on AWS. Provisions Slurm or AWS Batch-backed clusters with shared filesystems.

Traditional HPC workloadsmolecular dynamicsquantum chemistry
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AWS Lambda

Serverless compute for event-driven functions. Runs code without provisioning servers.

API backendsdata transformation triggerslightweight ETL
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AWS Fargate

Serverless containers on ECS or EKS. No cluster management needed.

Containerized microservicesAPI serverslightweight pipeline tasks
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Amazon EC2

Virtual servers in the cloud. Wide range of instance types including GPU, HPC, and memory-optimized.

GPU trainingcustom HPC nodespersistent compute environments
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AWS Step Functions

Visual workflow orchestration service. Coordinates Lambda, Batch, ECS, and other AWS services.

Multi-step ETL pipelinesapproval workflowsbioinformatics orchestration
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Amazon S3

Object storage with virtually unlimited scale. The standard for scientific data lakes.

Raw sequencing datamolecular librariesmodel artifacts
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Amazon FSx for Lustre

High-performance parallel filesystem. Integrates with S3 for transparent data access from HPC clusters.

HPC scratch storagemolecular dynamics I/Ogenomics pipeline intermediate files
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Amazon EFS

Managed NFS filesystem. Elastic capacity, shared across instances and containers.

Shared home directoriesreference databasescontainer-shared volumes
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Amazon SageMaker

End-to-end ML platform. Training, tuning, hosting, feature store, and experiment tracking.

QSAR model trainingprotein property predictionimage-based assay analysis
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Amazon Bedrock

Managed foundation model service. Access Claude, Titan, Llama, and other LLMs via API with guardrails and RAG.

Literature summarizationprotocol Q&Areport generation
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AWS HealthOmics

Purpose-built for genomics. Managed storage (sequence, variant, annotation stores) plus workflow execution (WDL, Nextflow, CWL).

Variant calling pipelinesmulti-omics storageregulatory-grade genomics
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Amazon Athena

Serverless SQL query engine over S3. Supports Parquet, CSV, JSON, and Iceberg tables.

Ad-hoc data lake queriesscreening result analysistrial metadata exploration
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AWS Glue

Managed ETL and data catalog. Crawlers auto-discover schema; Spark and Python shell jobs for transformation.

Data lake ETLschema discoverydata catalog for cross-team access
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AWS Lake Formation

Fine-grained access control for data lakes. Column-level and row-level security over S3 data.

Multi-team data governancePHI/PII protectioncross-account data sharing
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Amazon Redshift

Cloud data warehouse. Serverless option available. Columnar storage optimized for analytics.

BI dashboardslarge-scale compound analyticsclinical data warehousing
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SageMaker Studio

Managed JupyterLab environment on AWS. Integrated with SageMaker for training, experiments, and model registry.

Interactive ML developmentdata explorationexperiment tracking
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Amazon ECR

Managed container registry. Stores Docker images for ECS, EKS, Batch, and Lambda.

Container image storageCI/CD image registrypipeline tool containers
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Amazon ECS

Container orchestration service. Runs Docker containers on EC2 or Fargate.

MicroservicesAPI hostinglong-running services
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Amazon EKS

Managed Kubernetes. Run K8s workloads on AWS with managed control plane.

Kubernetes workloadsmulti-cloud portabilitycomplex microservices
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AWS CloudFormation

Infrastructure as code for AWS. JSON/YAML templates to provision and manage AWS resources.

Infrastructure automationreproducible environmentscompliance-as-code
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Cheminformatics

7 tools

RDKit

Open source

Open-source cheminformatics toolkit. Molecular manipulation, fingerprints, descriptors, substructure search, reaction handling.

Molecular descriptor calculationSMILES/InChI handlingsubstructure search+2 more
Comprehensive APIPython and C++ bindingsActive community
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Schrodinger Suite

Commercial

Integrated computational chemistry platform. Molecular modeling, FEP+, Glide docking, Maestro GUI, LiveDesign collaboration.

Free energy perturbationstructure-based drug designvirtual screening+2 more

AWS: Available on AWS Marketplace. Runs on EC2 GPU instances or ParallelCluster for FEP+ campaigns.

Industry-standard FEP+Integrated GUI (Maestro)LiveDesign for team collaboration
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OpenEye (Cadence Molecular Sciences)

Commercial

Shape-based molecular design and modeling. ROCS, OMEGA, SZYBKI, and Orion cloud platform.

Shape-based virtual screeningconformer generationlead hopping+1 more

AWS: Orion platform runs natively on AWS.

Best-in-class shape similarity (ROCS)Fast conformer generation (OMEGA)Cloud-native Orion platform
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KNIME Analytics Platform

Freemium

Visual workflow platform for data science. Strong cheminformatics nodes (RDKit, CDK). Server edition for production.

Visual data pipelinescheminformatics workflowsSAR analysis+1 more
No-code visual workflowsExtensive node libraryRDKit integration
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FPSim2

Open source

Ultra-fast molecular fingerprint similarity search using HDF5 databases. Billions of compounds in seconds.

Large library similarity searchvirtual screening triagenearest-neighbor lookup
Extremely fast (SIMD-optimized)Memory-mapped HDF5Tanimoto/substructure search
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DataWarrior

Open source

Free desktop tool for chemical data visualization and analysis. SAR tables, property plots, clustering.

SAR visualizationcompound set analysisproperty-based filtering+1 more
FreeBuilt-in chemistry renderingInteractive filtering
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ChEMBL

Open source

Open database of bioactive molecules with drug-like properties. Curated from medicinal chemistry literature.

Target-compound mappingSAR data miningtraining ML models+1 more
Curated and freeREST APIRegular releases
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Proteomics and Structural Biology

6 tools

AlphaFold (DeepMind)

Open source

AI protein structure prediction. AlphaFold 3 extends to complexes: protein-ligand, protein-nucleic acid, and multimers.

Structure prediction for novel targetsbinding site analysiscomplex modeling+1 more

AWS: Can run on EC2 GPU instances. AWS HealthOmics has AlphaFold workflow templates.

State-of-the-art accuracyAlphaFold DB covers 200M+ proteinsAlphaFold 3 handles complexes
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OpenFold

Open source

Open-source reimplementation of AlphaFold2 in PyTorch. Enables custom training and fine-tuning.

Custom protein model trainingfine-tuning on proprietary dataresearch on structure prediction methods

AWS: Train on SageMaker or EC2 P5/P4 instances.

PyTorch-basedTrainable from scratchActive development
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MaxQuant

Open source

Quantitative proteomics from mass spectrometry data. Label-free and TMT/SILAC quantification, Andromeda search engine.

Shotgun proteomicsphosphoproteomicsinteractomics+1 more
Free for academic useAndromeda search engineMatch-between-runs
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Proteome Discoverer (Thermo)

Commercial

Commercial proteomics software from Thermo Fisher. Integrated with Orbitrap instruments. Consensus and processing workflows.

Thermo RAW file processingmulti-engine searchquantitative proteomics+1 more
Native Thermo RAW supportMulti-engine (Sequest, Mascot, MS Amanda)Processing + consensus workflow model
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DIA-NN

Open source

Data-independent acquisition (DIA) proteomics analysis. Neural network-based spectral library-free search.

DIA proteomicslarge-cohort clinical proteomicslibrary-free analysis
Library-free modeHigh sensitivity for DIAFast processing
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UniProt

Open source

Comprehensive protein sequence and functional annotation database. Swiss-Prot (reviewed) and TrEMBL (unreviewed).

Protein annotation lookupsequence retrievalfunctional analysis+2 more
Gold-standard curation (Swiss-Prot)REST APIProgrammatic access
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Genomics and Transcriptomics

14 tools

GATK (Genome Analysis Toolkit)

Open source

Industry-standard variant calling pipeline from the Broad Institute. HaplotypeCaller, Mutect2, and best-practice workflows.

Germline variant callingsomatic variant callingjoint genotyping+1 more

AWS: Run via AWS HealthOmics workflows or AWS Batch with Cromwell.

Gold standard for variant callingWell-documented best practicesWDL workflows
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BWA / BWA-MEM2

Open source

Short-read aligner for DNA sequencing. BWA-MEM2 is the SIMD-optimized successor.

DNA read alignmentWGS/WES alignmentupstream of variant calling
FastStandard in most genomics pipelinesBWA-MEM2 is 2-3x faster
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STAR

Open source

Spliced Transcripts Alignment to a Reference. The standard RNA-seq aligner.

RNA-seq alignmentsplice junction detectionupstream of gene expression quantification
FastSplice-awareStandard for RNA-seq
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DESeq2

Open source

Differential gene expression analysis from RNA-seq count data. R/Bioconductor package.

Differential expressionbulk RNA-seq analysisdose-response transcriptomics
Statistically rigorousWell-validatedHandles small sample sizes
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Cell Ranger (10x Genomics)

Commercial

Processing pipeline for 10x Chromium single-cell and spatial data. Alignment, UMI counting, clustering.

scRNA-seq processingspatial transcriptomicsimmune repertoire analysis+1 more

AWS: Runs on EC2 or AWS Batch. AWS HealthOmics has Cell Ranger workflow templates.

Turnkey for 10x dataLoupe Browser visualizationBuilt-in secondary analysis
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Seurat

Open source

R toolkit for single-cell RNA-seq analysis. Clustering, differential expression, integration, spatial analysis.

scRNA-seq analysismulti-modal integrationspatial transcriptomics+1 more
Comprehensive toolkitLarge communityMulti-modal (RNA + ATAC + protein)
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Scanpy

Open source

Python toolkit for single-cell analysis. AnnData format, preprocessing, clustering, trajectory inference.

scRNA-seq analysis in Pythonintegration with ML pipelinestrajectory analysis+1 more
Python ecosystemScales to millions of cellsAnnData on-disk format
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nf-core

Open source

Community-curated Nextflow pipelines for bioinformatics. Standardized, tested, and production-ready.

RNA-seq (nf-core/rnaseq)variant calling (nf-core/sarek)ATAC-seq+2 more
Battle-tested pipelinesStandardized configsAWS/cloud-ready
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Salmon

Open source

Fast transcript quantification for RNA-seq. Quasi-mapping approach, no alignment step needed.

RNA-seq quantificationisoform-level expressionfast count generation
Very fastLow resource usageBias correction
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Samtools

Open source

Utilities for manipulating alignments in SAM/BAM/CRAM format. Sort, index, merge, statistics.

BAM file processingalignment statisticsvariant calling support+1 more
Essential utilityFastWidely used
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Terra / AnVIL

Freemium

Cloud platform for biomedical research built on Google Cloud. AnVIL (Analysis Visualization and Informatics Lab-space) hosts NHGRI datasets and workflows.

Large-cohort genomic analysisGWAScontrolled-access dataset analysis+1 more
Access to NHGRI/AnVIL datasetsWDL and Jupyter integrationWorkspace-level access control
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OpenCRAVAT

Open source

Open-source variant annotation and visualization platform. Modular annotator system with 150+ annotation sources and a web-based results viewer.

Variant annotationclinical variant interpretationsomatic mutation analysis+1 more
150+ annotation modulesWeb-based results explorerPython API
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Geneious Prime

Commercial

Commercial desktop platform for molecular biology and sequence analysis. Sanger assembly, cloning design, primer design, phylogenetics, and NGS analysis in a GUI.

Sanger sequencing assemblymolecular cloning designprimer design+2 more
Intuitive GUI for bench scientistsCloning and primer workflowsPlugin ecosystem
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BWA-MEM2

Open source

Next-generation short-read aligner, successor to BWA-MEM. 2-3x faster than original BWA with identical output, leveraging SIMD vectorization.

Whole genome sequencing alignmentexome sequencing alignmentupstream of variant calling+1 more
2-3x faster than BWA-MEMIdentical output to BWA-MEMDrop-in replacement
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Molecular Dynamics

4 tools

GROMACS

Open source

High-performance molecular dynamics simulation. Widely used for biomolecular systems.

Protein dynamicsmembrane simulationsfree energy calculations+1 more

AWS: Runs on ParallelCluster with EFA networking. GPU instances (P4/P5) for acceleration.

Extremely fastGPU-acceleratedOpen source
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AMBER

Commercial

Assisted Model Building with Energy Refinement. Suite of biomolecular simulation programs and force fields.

Drug-protein binding simulationsRNA dynamicsfree energy perturbation+1 more

AWS: GPU-accelerated on EC2 P4/P5 instances. ParallelCluster for multi-node.

Excellent force fields (ff19SB, GAFF2)pmemd.cuda GPU performanceTI/FEP support
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OpenMM

Open source

Python-friendly MD engine. Extensible via custom forces and integrators. GPU-accelerated.

Custom MD protocolsML-enhanced simulationscoarse-grained models+1 more
Python APIHighly extensibleGPU-accelerated
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Desmond (Schrodinger)

Commercial

High-performance MD engine from D.E. Shaw Research, integrated into Schrodinger Suite.

Protein-ligand MDmembrane permeabilityFEP++1 more
Fast GPU performanceMaestro integrationSID (System Builder) for setup
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Data Engineering and Pipelines

4 tools

Nextflow

Open source

Workflow manager for computational pipelines. Groovy DSL, native Docker/Singularity support, multi-cloud execution.

Genomics pipelinescheminformatics batch processingmulti-step analysis workflows

AWS: Native AWS Batch executor. Runs on AWS HealthOmics. Seqera Platform (Tower) for enterprise.

Dataflow paradigmNative AWS Batch executorResume/cache
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Snakemake

Open source

Python-based workflow manager. Make-like syntax with Python integration. Supports cloud execution.

Bioinformatics pipelinesreproducible analysismulti-step data processing

AWS: Runs on EC2 or AWS Batch via Snakemake executor plugins.

Python-nativeConda/container integrationRule-based approach
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Apache Airflow

Open source

Programmatic workflow orchestration. DAGs in Python. AWS MWAA is the managed version.

ETL schedulingdata pipeline orchestrationcross-system integration+1 more

AWS: Amazon MWAA (Managed Workflows for Apache Airflow) is fully managed.

Python DAGsHuge operator ecosystemAWS MWAA managed option
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Prefect

Freemium

Modern Python workflow orchestration. Declarative, with built-in observability and scheduling.

ML pipelinesdata engineeringscience pipeline automation+1 more
Pythonic APIBuilt-in retries and cachingCloud dashboard
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Visualization

7 tools

PyMOL

Freemium

Molecular visualization system. Publication-quality structure rendering. Python-scriptable.

Protein structure visualizationbinding site analysisfigure generation+1 more
Publication qualityPython APISession files
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UCSF ChimeraX

Freemium

Next-gen molecular visualization from UCSF. Handles large complexes, cryo-EM maps, VR support.

Cryo-EM map fittinglarge complex visualizationVR molecular exploration+1 more
Handles large structuresCryo-EM toolsVR support
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Napari

Open source

Python viewer for multi-dimensional images. Plugin ecosystem for bioimage analysis.

Microscopy image viewingcell segmentation3D volume rendering+1 more
Python-nativeGPU-accelerated renderingPlugin ecosystem
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Plotly / Dash

Open source

Interactive visualization library and dashboard framework. Python, R, and JavaScript.

Interactive data dashboardsassay result visualizationSAR plots+1 more
InteractiveWeb-basedDash for full apps
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Streamlit

Open source

Python framework for rapid data apps. Script-based, auto-reactive UI.

Internal science toolsdata exploration appsML model demos+1 more
Rapid prototypingPython-onlyBuilt-in caching
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CellProfiler

Open source

Open-source software for measuring and analyzing cell images. Automated image analysis pipelines.

High-content screeningcell countingmorphology measurement+1 more
No-code pipeline builderBatch processingIntegrates with CellProfiler Analyst for ML
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IGV (Integrative Genomics Viewer)

Open source

Desktop and web-based genome browser for interactive exploration of genomic data. Supports BAM, VCF, BED, bigWig, and dozens of other formats.

Visual inspection of alignmentsvariant reviewRNA-seq coverage visualization+1 more
Fast rendering of large BAM filesExtensive format supportIGV.js for web embedding
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Notebook and Interactive Compute

2 tools

SageMaker Studio

AWS

Managed JupyterLab environment on AWS. Integrated with SageMaker for training, experiments, and model registry.

Interactive ML developmentdata explorationexperiment tracking+1 more
Managed infrastructureInstance switchingGit integration
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JupyterHub

Open source

Multi-user Jupyter notebook server. Deployable on Kubernetes (Zero to JupyterHub) or bare metal.

Team notebook environmentshared computeteaching+1 more

AWS: Deploy on EKS with Zero to JupyterHub Helm chart. Can use EC2 or Fargate.

Multi-userKubernetes-native deploymentCustomizable spawners
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LIMS and ELN

3 tools

Benchling

Commercial

Cloud-native R&D platform. ELN, LIMS, registry, molecular biology tools, and API.

Electronic lab notebookssample trackingsequence design+2 more
Modern UXREST APIMolecular biology tools
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Dotmatics

Commercial

Scientific informatics platform. Combines ELN (Studies Notebook), registration, assay data, and analytics.

Compound registrationassay data managementSAR analysis+2 more
End-to-end platformChemistry-awareIntegration with instruments
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CDD Vault

Commercial

Collaborative Drug Discovery platform. Compound registration, SAR, assay data, and collaboration.

Compound registrationSAR data managementcollaborative drug discovery+1 more
Cloud-hostedCollaboration featuresAPI access
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Collaboration

3 tools

GitHub

Freemium

Code hosting and collaboration. CI/CD via Actions, code review, project management.

Code versioningCI/CD pipelinescode review+2 more
Industry standardActions CI/CDCopilot AI
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Confluence

Commercial

Team wiki and documentation platform from Atlassian. Spaces, pages, templates.

SOPsproject documentationmeeting notes+1 more
Jira integrationTemplatesSpaces for team organization
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Notion

Freemium

All-in-one workspace. Docs, databases, project management, and wikis.

Project trackinglab meeting notesteam wikis+1 more
FlexibleAPI for automationTemplates
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Excel as an Integration Layer

Spreadsheets remain the most common analytical surface in life sciences. Custom Excel formulas bridge the gap between structured data APIs and analysts who build models, trackers, and diligence sheets in Excel every day.

No context-switching

Trial data, pipeline comparisons, and AI answers flow into the cell where the analyst is already working.

Live formulas

Recalculate to refresh. Build competitive landscape tables and enrollment trackers that update themselves.

Custom add-ins

Use the pre-built Clari for Excel add-in, or generate your own with custom formulas from Code Studio.

Tool catalog curated as of April 2026. AWS services reflect the latest generally available features. Open-source tool descriptions are based on current documentation. Pricing models and availability may change.