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Chemistry & materials modelling
Search reactions, simulate molecules, and develop materials. ToolGrail lists 10 AI tools for this task, including Citrine Informatics, Spacemushroom, RDKit and Rowan.
Tools for this task
| Tool | What it does | Pricing | Type | Evidence |
|---|---|---|---|---|
| Citrine InformaticsCitrine Informatics | AI platform for developing materials and chemicals faster. | Pricing not verified | Tool | Site checked |
| SpacemushroomNot verified | Read-only sourced engineering materials data: every value with unit, conditions and source. | Pricing not verified | MCP | Site checked |
| RDKitRDKit community | Open-source cheminformatics toolkit widely used in drug discovery and ML. | Open source | Tool | Site checked |
| RowanRowan Scientific | Cloud computational chemistry with machine-learning and quantum methods. | Free + paid | Tool | Site checked |
| Materials ProjectLawrence Berkeley National Laboratory | Open database of computed materials properties with an API. | Pricing not verified | Tool | Unconfirmed listing |
| CAS SciFinderCAS | Chemistry and reaction search over CAS curated content. | Pricing not verified | Tool | Site checked |
| ChemifyChemify | Automated synthesis and digital chemistry platform for designing and making molecules. | Pricing not verified | Tool | Site checked |
| NotCo GiuseppeNotCo | AI food formulation platform used to develop plant-based products. | Pricing not verified | Tool | Site checked |
| ReaxysElsevier | Chemistry database for reaction, substance and property data. | Pricing not verified | Tool | Site checked |
| SchrödingerSchrödinger | Physics-based and machine-learning molecular modelling for drug discovery and materials science. | Pricing not verified | Tool | Site checked |
Roles that do this work
Sectors where it is common
No paid ranking. Reviewed 2026-11-04. Tool fit is an editorial suggestion based on published capabilities. See sources & methodology →