Full Platform

37+ Production Modules.
One Integrated Platform.

From target identification through lead optimization to regulatory reporting. Every module production-tested, forensically verified, and built for multi-customer deployment.

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500K+
Lines Backend
400K+
Lines Frontend
20+
UI Panels
37+
Production Modules
Module Inventory

Production Modules by Category

Every module is independently deployable, API-accessible, and built with three-layer forensic verification.

Screening & Safety 5 modules
LIVE
Predictive Toxicology Engine
Multi-endpoint safety prediction with cardiac, liver, mutagenicity, and metabolic scoring.Multi-endpoint ADMET prediction with hERG, hepatotox, mutagenicity, CYP450 inhibition scoring.
LIVE
QSAR Model Suite
Quantitative structure-activity models for potency, selectivity, and off-target prediction.
LIVE
ICH Compliance Checker
Automated alignment with ICH M7, S1A, S1B, S2, S9 guidelines and NAMs frameworks.
LIVE
Cross-Platform Concordance
Multi-model consensus scoring with r>0.99 cross-platform validation.
BETA
NAMs Integration Layer
New Approach Methodologies integration for organ-on-chip and organoid data fusion.
Structure & Docking 6 modules
LIVE
Molecular Docking PipelineAutoDock Vina Pipeline
Automated molecular docking with grid generation, flexible residues, and binding mode analysis.
LIVE
Structure Prediction
AI-powered protein structure modeling from sequence.AlphaFold2 and ESMFold integration for protein structure modeling from sequence.
LIVE
Stability Analysis EngineFoldX Stability Engine
Physics-based ddG predictions for mutation impact and protein engineering guidance.
LIVE
Binding Site Detection
Fpocket and P2Rank integration for cryptic and allosteric pocket identification.
BETA
Antibody Modeling
CDR loop prediction, paratope-epitope mapping, and humanization scoring.
BETA
Covalent Docking
Warhead-specific docking for cysteine-reactive and other covalent inhibitors.
Simulation & Analysis 4 modules
LIVE
MD Simulation Engine
Molecular dynamics pipelines with automated analysis and trajectory parsing.GROMACS and OpenMM pipelines for molecular dynamics with automated analysis and trajectory parsing.
LIVE
Free Energy Perturbation
Alchemical FEP calculations for relative binding free energy prediction across congeneric series.
LIVE
Network Analysis
STRING v12.0 protein interaction mining for pathway analysis and target prioritization.
PLANNING
QM/MM Integration
Quantum mechanics/molecular mechanics hybrid for reaction mechanism studies at enzyme active sites.
Design & Optimization 4 modules
LIVE
De Novo Generation
AI-powered molecular generation with active learning and chemical validation loops.ColabDesign-powered molecular generation with active learning and RDKit validation loops.
LIVE
Lead Optimization
Multi-objective optimization balancing potency, selectivity, safety profiles,ADMET, and synthetic accessibility.
LIVE
Scaffold Hopping
Bioisostere replacement and core transformation for patent-busting and property optimization.
BETA
PROTAC Designer
Targeted protein degrader design with E3 ligase linker optimization and ternary complex modeling.
Reporting & Integration 3 modules
LIVE
Report Generator
Automated PDF/HTML report generation with executive summaries, scoring tables, and ICH alignment sections.
LIVE
Forensic Verification
Three-layer verification engine ensuring cross-platform concordance and evidence-based claims.
LIVE
REST API Gateway
Full REST API with OAuth2, rate limiting, webhook support, and OpenAPI 3.0 documentation.
Infrastructure 3 modules
LIVE
Job Queue Manager
Celery/Redis-based distributed task queue with priority scheduling and resource allocation.
LIVE
Data Lake & Warehouse
PostgreSQL + S3 data architecture with versioned compound libraries and audit trails.
LIVE
Auth & Multi-Tenancy
RBAC, SSO integration, tenant isolation, and encrypted data-at-rest for multi-customer deployments.
Architecture

Multi-Customer Architecture

Built from the ground up for concurrent multi-tenant operation with complete data isolation and independent scaling.

Tenant Isolation

Each customer operates in a fully isolated environment with dedicated database schemas, storage buckets, and compute quotas. No cross-contamination of data or results.

Elastic Scaling

Kubernetes-orchestrated compute with auto-scaling worker pools. GPU nodes spin up on demand for docking campaigns and MD simulations, scale to zero when idle.

Compliance & Audit

Full audit trail on every computation. SOC 2 Type II aligned access controls, encrypted data-at-rest, and immutable result provenance for regulatory submissions.

API-First Design

Every module accessible via REST API with OpenAPI 3.0 specs. Webhooks, batch processing, and SDK clients for Python, R, and JavaScript integration.

See the Full Platform in Action

Schedule a live demo tailored to your therapeutic area and pipeline stage. See how 37+ modules work together.

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