HuggingAtom

Chemistry AI grounded to verified reactions

Every response from AI is now backed by verified chemical reactions with citation. Never worry about AI making up substances or pathways again. Free for all humanity, contributed by the community.

AI-ready, paywall-free chemical reaction registry

  • All reactions can be traced back to peer-reviewed journal articles, minimizing AI hallucinations.
  • Pre-extracted structured info for efficient human/AI inference: scheme drawing, procedure, scale, yield, reactants, products, characterization, etc. Save your tokens, no more sending full paper PDFs to LLMs.
  • No paywalls. Chemistry knowledge belongs to all humanity.
Find-Reactions demo
coupling of 2-iodoanisole with >90% yield
synthesis of oxime faster than 24 hours
reduction of carboxylic acid when I have no tetrahydrofuran
What's the most efficient way to massively synthesize aspirin?
I know 143 reactions whose products include aspirin. Here is the top 5 ranked by a combination of yield and scale...

AI Research Assistant for Chemistry

Use our AI to dig into reactions, suggest synthesis pathways, and provide research insights, as an expert chemist reading thousands of papers for you.

Chat-with-Reactions demo

Contribute to and profit from HuggingAtom

Open science is non-sustainable without incentives. Just like the Crusades who fought for faith and money, we want you to do the same. We share profits with you for your contributions. Unlike Elsevier or Springer who puts papers you wrote behind the paywall and pockets all the profits, HuggingAtom treats you as a content creator.

👩‍🔬
125 Reactions
$2,430 Earned
👨‍🔬
89 Reactions
$1,890 Earned
#!pip install huggingatom

from huggingatom import find_reactions

reactions: str = find_reactions("acetone", k=4)

query= "How is acetone used in these reactions?"

from openai import OpenAI
prompt = f"""Based on the info below
{reactions}
answer the question: {query}"""

print(OpenAI().responses.\
      create(input=prompt, model="gpt-4.1-nano").\
        output[0].content[0].text)

Developer SDK

Use HuggingAtom SDK in your Jupyter Notebook or apps. Plug it with any LLM your like or simply use our inference service.

Don't know frontend? Use our sister library Funix.io to fire up an app from any Python function or Pydantic class.

Brought to you by

⚗️

Forrest Sheng Bao, PhD

  • Head of ML, Vectara
  • Lead author of HHEM, the most popular LLM hallucination detector (10k+ daily downloads on HuggingFace)
  • CS Prof @ Iowa State Univ, NSF CAREER Awardee
  • Featured in MIT Technology Review, Lancet Neurology, New York Times
⚛️

Xiujing Xing, PhD

  • PhD in Chemistry @ Penn
  • Senior Scientist @ Provivi