Agentic Computational Platform to enFORCE
Biomedical Innovation
enFORCE empowers scientists with state-of-the-art computational tools for molecular modeling, protein engineering, drug discovery, materials discovery, and process simulations, enabled through simple, intuitive text prompts. Accelerate your research with AI-driven insights and physics-based simulations.
Discover What enFORCE Can Do for Your Science
OnDemand Tools for Biomolecular Research
Structure Prediction
Predict 3D protein and peptide structures as well as protein-nucleic acid complexes from their sequences with state-of-the-art deep learning models. Generate accurate structural models for drug design and functional analysis via all-atom insights.
Biomolecular Design
Design de novo proteins, peptides with desired properties through state-of-the-art computational methods. Optimize protein sequences, structures, and functions for specific applications in biotechnology and medicine.
Protein-Ligand Interactions
Predict binding affinities with high accuracy and identify potential drug–target interactions. Efficiently screen large compound libraries using machine learning–enhanced docking algorithms to prioritize the most promising candidates.
Biomolecular Simulations
Run high-performance all-atom and coarse-grained molecular dynamics simulations to study protein folding, ligand binding, and conformational changes. Perform large-scale data analysis and data visualization.
OnDemand Tools for Materials Science Research
Discovery, Design & Property Prediction
Discover and design materials and catalysts with targeted properties using agentic AI workflows that combine machine learning–based screening and inverse design.
Quantum, Atomistic & Coarse-Grained Simulations
Run physics-based simulations across quantum, atomistic, and coarse-grained scales to investigate electronic structure of materials and catalysts, molecular interactions in polymers and porous materials, as well as their dynamics and mesoscale behavior.
Catalysis & Reaction Engineering
Model catalytic reactions, active sites, and kinetics using AI-accelerated workflows across heterogeneous, homogeneous, and electrochemical catalysis.
Processing, Performance & Scale-Up
Model material and catalyst behavior under realistic processing and operating conditions to enable design-for-manufacturing and deployment.
OnDemand Tools for Process Modeling
Process Systems Modeling & Optimization
Model and optimize chemical and energy processes using equation-oriented, physics-based workflows for phase behavior, reactions, separations, and steady-state and dynamic operation under realistic constraints.
Multiphysics Flow & Transport Modeling
Simulate fluid flow, heat transfer, and species transport in reactors and process equipment to resolve spatially varying behavior under realistic operating conditions, including multiphase flow, reactive transport, and coupled thermal–fluid phenomena.
Infrastructure That Fits Your Needs
Secure Cloud
Enterprise-grade secure cloud computing with scalable, high-performance resources and data protection.
HPC Integration
Integrate enFORCE with university HPC systems and computing clusters. Deploy on your existing infrastructure while using enFORCE's computational tools and workflows.
Your IP, Your Control
You own your inputs, outputs, and all derivatives. enFORCE provides the computational infrastructure—your research and intellectual property remain yours.