Chemistry training data for AI. Valence rules are not optional.
Worked problems, reaction and mechanism labels, spectra assignments, and graded model answers from PhD-level organic, analytical, physical, inorganic, and computational chemists, each safety-screened and checked by a second chemist before delivery. For AI teams building models that reason about molecules, and for chemists who want paid, remote work in their own subfield.
What is chemistry training data for AI?
Chemistry training data for AI is material a chemist would recognize as correct work, packaged so a model can learn from it or be scored against it: a synthesis problem with its full solution; a reaction scheme with reagents, conditions, intermediates, and the arrows that show where the electrons go; an NMR spectrum with every peak assigned to the structure that explains it; a model's answer marked step by step for valid structures and sound mechanism; a generated molecule checked for valence, charge, and stereochemistry.
Models that have read the whole internet still draw molecules that cannot exist, lose a stereocenter between two steps, push electrons backwards, pair reagents that would never survive each other, and read a spectrum with total confidence and the wrong structure. The public problem banks are in every corpus, and the spectra databases that get scraped come with terms nobody has read.
eeko builds retrieval and reasoning systems over scientific literature for life-sciences and materials teams, and those systems need chemistry data that is new, correct, and safe to ship. So we commission it: verified chemists write or label each item to your specification, a second chemist checks it blind, and the delivery carries the per-item record described on verified human data, the standard across the whole eeko data practice.
Three chemistry mistakes models repeat, and what the data corrects.
A general annotator can tell whether an answer is well written. A chemist can tell whether the molecule in it can exist.
Chemistry annotation and reasoning datasets, subfield by subfield.
The six requests we fill most often, scoped by subfield, difficulty, and volume, and opened with a pilot batch.
- Tagged by subfield and difficulty
- Independent second solve before acceptance
- Structures delivered as drawings and SMILES
- Reaction SMILES and structured fields
- Conditions and yields where known
- Agreement measured between annotators
- 1H, 13C, and 2D NMR
- Raw files plus structured labels
- Licence recorded per spectrum
- Pass, fail, and reason per structure
- Canonical SMILES returned
- Plausibility judged by a chemist, not a parser
- Rubric agreed in the pilot
- First-error index on every trace
- Reviewer agreement reported per batch
- Refusal and redirection targets defined
- No hazardous procedures written
- Screened at intake and at delivery
From brief to signed delivery, in four steps.
Settle the subfield, rubric, and safety scope on a small batch, then run volume without re-arguing it.
The chemists behind the dataset, and what they hand over.
Who is on the eeko chemistry network
- Organic and medicinal chemists — synthesis, mechanism, and the structures that matter to drug discovery.
- Analytical chemists — spectra interpretation and assignment from years at the instrument.
- Physical, inorganic, and computational chemists — kinetics, thermodynamics, coordination chemistry, and modeling.
- Chemistry faculty — graduate-level problem writing with a single clean answer.
Delivered as reaction schemes, spectra with labels, SMILES, problem sets, and reasoning traces, as JSON Lines, CSV, Parquet, or Croissant.
Paid AI training work for chemists, in your own subfield.
Remote work that uses real expertise: write problems, assign spectra, annotate mechanisms, grade a model's chemistry, and check a colleague's labels. The rate is on the job before you accept.
Identity and credentials are confirmed once at onboarding, sometimes with one paid assessment task. After that you only see jobs your verified profile meets.
- Doctoral A PhD in chemistry or a close field, or doctoral study underway
- Master's With several years at the bench or in industry
- Spectra Hands-on interpretation of NMR, IR, or mass spectra
- Subfield Research or industry work in synthesis, medicinal, analytical, or similar
- Teaching University-level teaching, for problem-writing jobs
Each job carries scope, deadline, and rate. When the second chemist confirms your item, the amount is credited and Stripe pays it out automatically once your identity and tax information are on file.
- Write Original problems with a verified answer and full solution
- Label Peaks, mechanisms, and conditions to a written guide
- Grade Every step of a model's answer, for structural validity and mechanism
- Check Another chemist's problems and labels as the second reviewer
No minimum hours, no published byline, and nothing hazardous: jobs are scoped so you are never asked to write a dangerous procedure. How rates and review work across the program is on expert data annotation jobs.
Chemistry training data questions.
What kinds of chemistry data does eeko deliver?
Graduate-level problems with complete solutions in synthesis, mechanism, kinetics, thermodynamics, and spectroscopy; reaction schemes annotated with reagents, conditions, intermediates, electron pushing, and stereochemical outcome; NMR, IR, and mass spectra with peak assignments and the supported structure; validation of generated molecules and SMILES; step-by-step grades of a model's chemical reasoning; and safety evaluation prompts with chemist-defined expected behavior. Each request is scoped by subfield and difficulty, routed to chemists verified in that area, and opened with a pilot batch.
How does eeko keep hazardous chemistry out of the dataset?
Every item passes a safety screen at intake, and requests are scoped from the start so that no job asks a chemist to write a usable procedure for something dangerous. Where a team needs safety evaluation data, the chemist writes the prompt and defines what a safe, correct response looks like, which is a refusal or a redirection, never the hazardous content itself. Anything that fails the screen is removed before review and never reaches a delivery.
Do I need a PhD to get chemistry AI training work?
A PhD or doctoral study in progress qualifies you for most of the work, and a master's degree backed by several years at the bench or in industry qualifies you for a good share of it. Spectra work asks for hands-on interpretation experience; problem writing favors people who have taught. Identity and credentials are verified once at onboarding, sometimes with one paid assessment task in your subfield, and every job states its requirements before you accept.
How much does chemist-made training data cost?
Per accepted item, priced by item type, subfield, and the depth of review. A single structure validation is inexpensive; a multi-step synthesis problem with a full mechanism and a second-chemist check is not. After a short brief we quote a fixed price for a pilot batch, usually a few dozen items, and the volume order is quoted the same way once you have seen the standard. A data lead replies inside one business day.
Where do the spectra in the dataset come from?
From consenting sources only. Spectra and lab data are licensed from the laboratories, researchers, or companies that generated them, with consent recorded against each file, or acquired fresh for the request. Nothing is pulled from public databases with unclear terms. Each spectrum is fingerprinted at intake, assigned by a chemist, checked by a second, and listed by hash on the signed delivery receipt, so you can show where every peak assignment came from.
Can we license a chemistry dataset exclusively?
Yes. Commissioned chemistry data can be licensed on an exclusive basis, with scope, term, and exclusivity written into the agreement before work begins, and an exclusive set is never offered to another buyer. Deliveries arrive as JSON Lines, CSV, or Parquet with Croissant metadata, plus the original spectra and structure files, and a standing order keeps new problems and labels arriving at the standard agreed in the pilot.
Nearby solutions, industries, and fields.
Chemistry data a reviewer would sign.
Tell us the subfields, the volume, and the mistakes your model keeps making. A data lead replies inside one business day with a written spec, a safety scope, and a fixed pilot price. Chemists: the application takes ten minutes.
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As an enterprise AI agency, eeko systems delivers production AI systems remote-first across the United States and internationally — including these markets: