Mat3ra.com

What Mat3ra.com does

Mat3ra.com (legal entity Exabyte Inc., d/b/a Mat3ra; previously Exabyte.io) operates a unified cloud platform purpose-built for materials science and chemistry R&D. The platform integrates density functional theory (DFT), molecular dynamics, and machine learning workloads with major open-source simulation engines (Quantum ESPRESSO, VASP, LAMMPS, GROMACS), a web-based materials designer with 3D visualization, a workflow designer, a Jupyter environment, and a REST/CLI/remote-desktop interface, all backed by multi-cloud HPC infrastructure (AWS, Azure, Oracle) scaling to ~10,000 cores in production and 35,000 in test regimes.

The company sells through a three-tier subscription model — FREE ($0/year), PRO ($360/year), and Enterprise ($3,600/year) — supplemented by usage-based compute pricing (as low as two cents per core hour), storage overages, and custom enterprise contracts. Go-to-market is product-led with a self-serve freemium funnel layered with community-led adoption via academic free-compute programs (notably the Oracle for Research pilot spanning five continents), content marketing, and direct enterprise sales. It also operates a wholly-owned Japanese subsidiary (Mat3ra Japan K.K.) for APAC coverage.

The customer base is heterogeneous, spanning enterprise R&D (Intermolecular, now Merck KGaA; ITOCHU Techno-solutions; Shell), US government research users (US Air Force, Department of Energy), and academic institutions (Tokyo University of Science, University of Tokyo, Universite de Lorraine, San Francisco State University, Riphah International University). To date, the company has raised approximately $3.85M across disclosed rounds, with a 2022 $3M Draper-led round being the largest. The platform reports accumulating 64,078 materials stored, 73,462 calculations run, and 251,084 properties predicted across its user base.

Name

Mat3ra.com

Legal name

Exabyte Inc.

Website

https://mat3ra.com

Company type

Private

Founded year

2019

Operating status

Operating

Headcount range

11–50 employees

Short description

Mat3ra.com operates a cloud platform that combines DFT simulations, molecular dynamics, and machine learning with multi-cloud HPC, serving materials scientists in enterprise R&D (Merck KGaA, ITOCHU, Shell), US government labs, and academic institutions worldwide.

Ownership category

akta.pro rank

Product category

Computational Materials Science Software

NAICS

Software Publishers (5132)

SIC

Services-Prepackaged Software (7372)

akta.pro primary industry

AI Compiler, Runtime & Kernel Optimization Software (CUDA/ROCm/XLA, graph compilers) (HDAAAAAI)

Keywords

• Materials science simulation
• Cloud HPC platform
• Computational chemistry
• Materials informatics
• Density functional theory

Headquarters

HQ city

San Francisco

HQ country

United States

HQ region

North America

Offices2 records

Markets served

GTM type

B2B

Offering type

Software

Cost components

Technology or R&D, Infrastructure, Personnel, Marketing or Sales, Operations

Revenue model

1. Subscription Plans: Three-tier subscription model: FREE ($0/year), PRO ($360/year), and Enterprise ($3,600/year). Each tier provides different service levels, account member limits, and support severity levels.
2. Usage-Based Compute: Pay-per-use compute resources based on core hours consumed. Pricing can be as low as 2 cents per core hour for saving-category resources. Additional charges for storage quota beyond defaults.
3. Storage and Additional Services: Storage quota pricing for additional disk space beyond default limits. Additional compute resources and specialized hardware (GPU, large memory nodes) available at premium rates.

Pricing tiers

Go-to-market motion3 records

Distribution channels4 records

Marketing channels9 records

Core offering

Mat3ra operates a cloud-based Materials R&D platform that enables chemists and materials scientists to design molecular structures, run quantum-mechanical and molecular dynamics simulations, and build AI/ML models for property prediction in a single integrated environment. The platform bundles multiple simulation engines (Quantum ESPRESSO, VASP, LAMMPS, GROMACS), scalable cloud HPC, Jupyter-based Python workflows, and a REST API into subscription tiers (FREE, PRO at $360/year, Enterprise at $3,600/year) with usage-based compute pricing.

Product overview

Mat3ra is a unified Materials R&D Cloud platform for materials design and discovery through modeling and simulations. The platform combines a web-based interface for designing materials structures, integrated simulation engines (Quantum ESPRESSO, VASP, LAMMPS, GROMACS), advanced data analytics and machine learning infrastructure, and cloud high-performance computing resources. The offering is delivered through three pricing tiers (FREE, PRO at $360/year, and Enterprise at $3,600/year) and includes supporting features such as a REST API, Command-Line Interface, Remote Desktop access, JupyterLab environment, and Workflow Designer for creating interoperable modeling workflows. The platform organizes materials data and simulation workflows to accelerate R&D phases and enable faster product development.

Differentiator

Problem solved

Functional benefit

Products and services

• Mat3ra Platform (Materials R&D Cloud) Unified cloud platform enabling chemists and materials scientists to design molecular structures, run quantum-mechanical and molecular dynamics simulations, organize simulation workflows and data, build AI/ML models for property prediction, and collaborate globally. Bundles multiple simulation engines (Quantum ESPRESSO, VASP, LAMMPS, GROMACS), JupyterLab environment, REST API, and cloud HPC across AWS, Azure, and Oracle Cloud.

Quantifiable outcome

• 296 compounds screened across 296 compute nodes with 10,656 cores within 7 minutes, completed in 38 hours
• +2 more outcomes

Named customers10 records

Segments4 records

Ideal customer profiles3 records

API detail

Has API

Yes

API docs

API detail

Core technology

AI maturity

App detail

AI capability5 records

Feature8 records

Partnerships

Five partnerships are on record, tiered core and minor.

• Oracle Cloud Infrastructure (OCI)coreStrategic or Co-development Partner · 1 December 2019Oracle Cloud Infrastructure and Oracle for Research partnership launched in December 2019 as a pilot program providing free access to Exabyte.io platform and computational resources hosted on OCI for materials scientists with valid academic affiliations. The program received 39 responses spanning five continents and enabled multiple published research works.
• US Air ForceminorOthersPlatform user utilizing cloud HPC resources for materials research projects.
• US Department of EnergyminorOthersPlatform user conducting materials science research through computational modeling.
• AWS (Amazon Web Services)coreTechnology or IntegrationPrimary cloud provider supporting production infrastructure. AWS security policies referenced for physical and operational security compliance.
• Microsoft AzurecoreTechnology or IntegrationPrimary cloud provider supporting production infrastructure. Azure security documentation referenced for compliance.

Scale indicators7 records

Recent moves6 records

Expansion highlights6 records

Emerging players

• Kebotix: AI-robotics platform for autonomous materials discovery combining robotics experimentation with ML. Comparable in AI-for-materials-discovery narrative but earlier stage and experiment-led rather than simulation-led like Mat3ra.
• Aspuru-Guzik Group (U of Toronto) / ChemOS: Academic-led autonomous chemistry and materials discovery platform combining robotics, AI, and cloud compute. Overlaps with Mat3ra on cloud-based autonomous materials R&D but driven by academic open-source tooling rather than commercial SaaS.

Direct peers

• Rescale: Cloud HPC platform purpose-built for scientific and engineering simulation, including computational chemistry and materials workloads. Directly comparable multi-cloud HPC orchestration model and customer base to Mat3ra.
• Citrine Informatics: AI-driven materials informatics platform combining curated materials data, ML, and experiment integration for enterprise R&D. Directly comparable to Mat3ra's materials + ML positioning, with overlapping buyer personas in chemicals and materials companies.
• Schrödinger, Inc. Public computational chemistry and materials simulation software company with physics-based and ML workflows used by enterprise R&D and academic researchers. Highly comparable product category, customer base (enterprise + academic), and physics+AI positioning to Mat3ra.

Broad incumbents

• Ansys: Large engineering simulation platform with materials, structural, and multiphysics solvers. Adjacent rather than direct — Mat3ra is more focused on DFT/MD materials discovery, while Ansys covers broader engineering simulation with overlapping enterprise customers.
• Dassault Systèmes BIOVIA: Enterprise materials science and chemistry simulation suite within the broader Dassault 3DEXPERIENCE platform. Overlaps with Mat3ra on DFT, MD, and materials informatics use cases but serves large enterprise R&D with on-premise + cloud offerings and a much broader product portfolio.

Others

• Materials Project (Lawrence Berkeley National Lab): Open-access, government-funded computational materials database and analysis platform. Indirect competitive force — its free public data and tools set a price/expectation baseline that Mat3ra must differentiate against for academic and lab users.

Market position

Strengths5 records

Weaknesses5 records

Competitive moat5 records

Key risks6 records

Key highlights6 records

Customer concentration

• Xx.com/mat3ra_com
• GitHubgithub.com/mat3ra
• YouTubeyoutube.com/c/Mat3ra/videos
• LinkedInlinkedin.com/company/mat3ra

Revenue estimate

Valuation estimate

Number of profiles

Profiles1 record

Subsidiaries1 record

Funding overview

Funding rounds4 records

Investors5 records

Funding detail is available on the Subscription and Enterprise plan.Contact sales →

M&A

Investments

M&A and investment is available on the Subscription and Enterprise plan.Contact sales →

Frequently asked questions about Mat3ra.com