Tools by category 2152
2152 deterministic functions across 24 categories. Each tool is a single, tested operation — the layer that skills route to. Prefer the tree, search, and deep links? Open the interactive browser →
Quantum Chemistry
Electronic-structure methods — energies, geometries, and properties from first principles.
260 tools
Other
242 tools
OPERATE Platform
221 tools
PARAMUS
210 tools
Molecular Dynamics
Force-field and enhanced-sampling simulations of molecular systems over time.
143 tools
Molecular Chemistry
125 tools
Data Science
Design of experiments, statistics, ML models, and data analysis.
122 tools
WORLD Platform
112 tools
Polymer Science
Polymer property prediction, BigSMILES handling, and formulation support.
110 tools
Engineering
Reaction and process engineering with thermophysical property backing.
108 tools
Thermodynamics
Fluid properties, phase equilibria, and thermochemistry.
87 tools
Automation
Lab and workflow automation building blocks.
85 tools
Tools & Integration
57 tools
Materials Science
Crystal structure, periodic systems, and materials property prediction.
55 tools
Analytical Chemistry
Spectroscopy and analytical data processing (IR, NMR, MS, and more).
43 tools
Chemical Kinetics
Reaction mechanisms, rate modeling, and kinetic simulation.
38 tools
Drug Discovery
Retrosynthesis, screening, and discovery-oriented workflows.
34 tools
Lab Management
28 tools
Devices
Concrete lab instruments driven by Operate — one tool per device.
27 tools
Scientific Databases
Structured access to curated scientific datasets.
22 tools
Electrochemistry
Impedance, cell modeling, and electrochemical analysis.
9 tools
BRAIN Platform
7 tools
Chemistry
6 tools
Cloud Services
1 tool