Computational discovery for complex programs
Computational drug discovery, built around your program.
ATTMOS combines specialized molecular modeling, scalable scientific computing, and direct collaboration to help biotech, pharmaceutical, and research teams make better-supported discovery decisions.
Software, infrastructure, and scientific collaboration—configured to the work.
PROGRAM CONTEXT
CONFIGURED WORKFLOW
DECISION-READY OUTPUT
Ranked candidates with scientific contextChoose your path
Where does your program need more confidence?
Start with the scientific or operational decision—not a product name. ATTMOS connects the appropriate methods, workflows, compute, and expertise.
Identify and refine hits
Screen, prioritize, and improve candidate binding poses with connected modeling workflows.
Virtual screening · Docking · Pose refinementExplore this pathOptimize a lead series
Use physics-based modeling and target-tailored force fields to support lead decisions.
AFFDO · Free-energy workflows · RefinementExplore this pathScale scientific computing
Orchestrate demanding CPU and GPU workflows across the resources that fit the work.
Workflow orchestration · HPC · Flexible compute environmentsExplore this pathNeed ATTMOS scientists to help shape or execute the work? Explore a research collaboration.
Flagship capability · AFFDO
Target-tailored force fields without a manual parameterization bottleneck.
AFFDO automates a multi-step torsion-parameterization workflow designed to create more appropriate molecular models for downstream free-energy calculations.
A clearer engagement model
From difficult question to a practical next decision.
Define
Clarify the problem, decision, data, workflow, and constraints.
Configure
Select the appropriate methods, compute, and engagement model.
Execute
Run the agreed workflow with clear milestones and review points.
Interpret
Deliver results, limitations, and a clear scientific next step.
Why ATTMOS
Focused capabilities. Flexible execution. Direct scientific access.
ATTMOS does not need to look like the largest software catalog. Its advantage is connecting specialized science with the infrastructure and people required to apply it.
Specialized
Focused capabilities for difficult molecular-modeling and discovery problems.
Configurable
Software, workflows, compute, and expert support combined around the program.
Integrated
Scientific method and infrastructure designed together for practical execution.
Collaborative
Direct access to scientific and engineering expertise as the work is evaluated.
Evidence & momentum
Science that can be examined—not just claimed.
Connect every company-level promise to a publication, collaboration, funding milestone, computing resource, or named expert.
AFFDO methodology
Review the scientific foundation behind automated target-tailored force fields.
Explore the science Industry applicationDiscovery collaboration
See how ATTMOS technology is being connected to real research programs.
View company updates External supportNIH Fast-Track SBIR
Learn about the company, scientific team, and externally supported development.
About ATTMOSChoose the next step that fits
Learn, evaluate, or engage.
A commercial homepage should not force every visitor into the same contact form.
Start with the problem
You do not need to know which ATTMOS product fits.
Share the scientific or computing challenge, and begin with the most appropriate next conversation.