MatCraft combines surrogate models, active learning, and Pareto optimization to find optimal materials 100x faster than brute-force search. No GPU required.
Free to explore · No credit card required · 11 material domains
A complete platform combining physics-based evaluation, machine learning surrogates, and intelligent optimization.
NumPy-only MLP neural network with MC Dropout uncertainty. No GPU needed - runs anywhere.
Smart sampling with MaxUncertainty, Expected Improvement, and UCB acquisition functions.
NSGA-II multi-objective optimization with CMA-ES on the surrogate surface.
Water, battery, solar, CO2, catalyst, hydrogen, construction, bio, agri, electronics, textile.
Replace expensive simulations with surrogate predictions. Evaluate thousands in seconds.
Live campaign progress with 3D visualizations, Pareto plots, and convergence tracking.
Write a YAML material definition: parameters, objectives, constraints, and physics equations.
Start a campaign. The engine samples initial materials and trains a surrogate model.
CMA-ES finds optimal candidates on the surrogate. Active learning picks the most informative.
Pareto-optimal materials emerge. Export recipes, visualize trade-offs, iterate.
Each domain includes physics equations, YAML templates, and pre-configured optimization parameters.
PFOS rejection membranes
Next-gen energy storage
Perovskite photovoltaics
Carbon capture sorbents
Reaction optimization
H2 storage materials
Low-carbon concrete
Biocompatible scaffolds
Controlled-release fertilizers
Semiconductor materials
Responsive fabric composites
Heat-to-electricity conversion
High-Tc superconducting materials
Sustainable polymer design
Protective thin film coatings
High-performance ceramics
Whether you’re a student exploring structures for the first time or an IP team running FTO analysis at scale — MatCraft has you covered.
205k+ unified materials, AI inverse design, and band structures — all in one tab.
Learn moreFilter by 16 properties, plot scatter charts, and compare candidates in seconds.
Learn moreFree forever — 3D crystal builder, prototype library, and real DFT property data.
Learn moreSearch 125M+ patents in seconds and deliver FTO assessments overnight.
Learn more205k+ clean materials with 30+ normalised properties via REST API and bulk export.
Learn moreFilter by biocompatible elements, screen implant alloys, and model nanoparticle carriers.
Learn moreEverything in one browser tab — free for academics with proper DOI citations.
Learn moreThe most powerful materials structure editor on the web. Load any material from 205,000+ entries, modify it in 3D, and export simulation-ready files — all in your browser.
One click to generate input files ready for VASP, Quantum ESPRESSO, LAMMPS, CP2K, and more. No format conversion headaches.
Evaluate 10,000 candidates where you could only test 50.
Equations from domain experts. Not just statistics.
No GPU, no cloud credentials, no Docker. pip install and go.
Write your own plugins. Bring your own evaluator.
name: PFOS Rejection Membrane
domain: water
parameters:
- name: pore_diameter
range: [0.5, 5.0]
unit: nm
- name: active_layer_thickness
range: [50.0, 500.0]
unit: nm
objectives:
- name: pfos_rejection
direction: maximize
equation: "water:pfos_rejection"
- name: permeability
direction: maximize
equation: "water:permeability"
active_learning:
initial_samples: 20
samples_per_round: 10
acquisition: max_uncertaintyJoin researchers using MatCraft to discover novel materials for water, energy, construction, and beyond.