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On November 3, 2026, Google DeepMind released a cheminformatics skills set (Cheminformatics Skills) for Google Antigravity. The skill is based on RDKit, connects to ChEMBL and PubChem, and has a language model responsible for task orchestration and scientific reasoning, while deterministic chemistry tools perform molecular computations. Taking a lung cancer drug as an example, the agent retrieved thousands of compounds within about one hour, completed matched molecular pair analysis and trained a potency prediction model, and also proposed novel rigidified macrocyclic molecule designs with synthetic routes. Google DeepMind also noted that sparse data, inter-laboratory assay noise and narrow dynamic range can limit prediction accuracy, and that computational design is only a verifiable hypothesis that still requires experimental synthesis for validation. The skill is now live on Antigravity and can be used by installing the Science plugin, and free access to the highest usage tier for six months is being offered to 10,000 scientists.
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Google DeepMind launches Cheminformatics Skills for AntigravityDevelopments
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Google DeepMind launches cheminformatics skills for Antigravity
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Nov 3
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Google DeepMind launches Cheminformatics Skills for Antigravity
Google DeepMind has released a set of Cheminformatics Skills for Google Antigravity. Built on RDKit and connected to ChEMBL and PubChem, the language model handles task orchestration and scientific reasoning, while deterministic chemistry tools perform molecular computations. Using lung cancer drugs as an example, the agent searched thousands of compounds in about one hour, completed matched molecular pair analysis, trained a potency prediction model, and also proposed novel rigidified macrocyclic molecular designs with synthetic routes. The team also noted that sparse data, inter-laboratory assay noise, and narrow dynamic ranges limit prediction accuracy; computational designs are only verifiable hypotheses and still require experimental synthesis for validation. The skills are now live on Antigravity and can be used by installing the Science plugin, and free access to the highest usage tier for six months is being offered to 10,000 scientists.