← Portfolio fitCOMPUTATIONAL MATERIALS DISCOVERYNegatives / eval-data license

Lattice Graph × Entalpic

AI for chemistry & catalysis materials

Entalpic's models for catalysis/industrial chemistry want labeled negatives and provenance-grounded eval to de-risk candidates.

Why nowGenerative capacity in materials AI is now broadly available to well-capitalized competitors, so the near-term window for Entalpic to differentiate on negative-result coverage and provenance-grounded evaluation is measured in months, not years, and the labeled kill-edge atlas that provides that edge is not reconstructable from public data after the fact.

What our platform does for Entalpic

Lattice Graph is a computational materials-discovery platform built around a knowledge graph that spans millions of compositions, connecting structures, properties, synthesis routes, experimental evidence, and patent records into a single queryable network. What distinguishes the platform from a large-scale database or a foundation model is the validation layer: every candidate material of interest can be interrogated against multiple independent physics engines simultaneously, including machine-learning interatomic potentials such as MACE and CHGNet as well as density functional theory calculations, so that thermodynamic and phonon stability assessments represent genuine multi-engine consensus rather than a single model's output. Cross-source disagreement is made explicit rather than averaged away, giving downstream users a calibrated uncertainty picture that reflects where the science is settled and where it is genuinely contested. For a catalysis-focused AI company like Entalpic, the most strategically significant capability is one that does not appear in most materials platforms: a large, governed atlas of labeled negative results. The platform holds more than 23,000 failed-experiment records and kill edges, capturing the compositions, conditions, and routes that were tried and ruled out. This is the evidence that the peer-reviewed literature systematically omits. Generative models trained on publication-positive corpora will confidently re-propose known dead ends; models trained or evaluated against a substantial negative set will not. The Lattice Graph knowledge graph is built to surface this anti-signal with the same provenance rigor applied to positive evidence, and it includes PGM-free catalyst evidence directly relevant to Entalpic's core domain. Freedom to operate screening, supply-chain intelligence, and natural-language graph traversal complete the platform's capability set. A team can query the knowledge graph in plain language to trace the evidence chain behind any predicted property, identify the original DFT calculation or experimental record that anchors a stability claim, and understand how densely or sparsely a region of composition space is actually characterized. That provenance capability converts a model recommendation from a confidence score into a traceable, auditable case, which is what an industrial customer or a synthetic chemistry partner needs before committing resources to a campaign.

Why Lattice Graph × Entalpic

Entalpic is building generative and predictive materials models for catalysis and industrial chemistry, targeting the exact problem where AI-for-materials has the most visible credibility gap: proposing candidates that a chemist or process engineer will actually trust enough to test. Its business lines, AI for chemistry and catalysis, generative materials models, and industrial process materials, point to a company whose product is not a molecule but a recommendation pipeline that must survive contact with skeptical industrial customers. The competitive differentiation for Entalpic is therefore less about raw generative capacity, which is now broadly available following the GNoME and foundation-model wave, and more about whether the candidates its models produce are de-risked, provenance-grounded, and benchmarked honestly. The structural fit with Lattice Graph is direct. Catalysis is one of the most hostile domains for positive-only training data: activity, selectivity, and stability are acutely sensitive to synthesis route, support identity, promoter loading, and operating window, and any model that has never seen the failures in that parameter space will systematically overstate candidate quality. Lattice Graph holds the failed-experiment coverage that fills that gap, and it holds it with provenance, so every kill edge can be traced to its source rather than accepted as an opaque label. This matters for Entalpic specifically because its customers will ask how the model knows a candidate is not a known dead end, and the answer has to be grounded in evidence rather than in model confidence alone. The relationship is therefore a data and evaluation license rather than a patent or IP transaction. Entalpic does not need more discovery assets; it needs the missing training and evaluation signal, the uncertainty calibration layer, and the provenance API that lets its platform answer the "where did this come from" question with a traceable chain. Lattice Graph's PGM-free catalyst evidence in the governed graph adds direct domain relevance, making the partnership a tight thematic match rather than a general-purpose data augmentation play.

Entalpic business lines

  • AI for chemistry & catalysis
  • Generative materials models
  • Industrial process materials

Where we fit

Catalysis models need negative coverage and provenance. License the negatives/eval atlas + trust signals; ground with the KG API (and our PGM-free catalyst evidence). $40–75K negatives audit to start.

Why nowGenerative capacity in materials AI is now broadly available to well-capitalized competitors, so the near-term window for Entalpic to differentiate on negative-result coverage and provenance-grounded evaluation is measured in months, not years, and the labeled kill-edge atlas that provides that edge is not reconstructable from public data after the fact.

The Lattice Graph fit for Entalpic

Entalpic is building generative and predictive materials models for catalysis and industrial chemistry, targeting the exact problem where AI-for-materials has the most visible credibility gap: proposing candidates that a chemist or process engineer will actually trust enough to test. Its business lines, AI for chemistry and catalysis, generative materials models, and industrial process materials, point to a company whose product is not a molecule but a recommendation pipeline that must survive contact with skeptical industrial customers. The competitive differentiation for Entalpic is therefore less about raw generative capacity, which is now broadly available following the GNoME and foundation-model wave, and more about whether the candidates its models produce are de-risked, provenance-grounded, and benchmarked honestly. The structural fit with Lattice Graph is direct. Catalysis is one of the most hostile domains for positive-only training data: activity, selectivity, and stability are acutely sensitive to synthesis route, support identity, promoter loading, and operating window, and any model that has never seen the failures in that parameter space will systematically overstate candidate quality. Lattice Graph holds the failed-experiment coverage that fills that gap, and it holds it with provenance, so every kill edge can be traced to its source rather than accepted as an opaque label. This matters for Entalpic specifically because its customers will ask how the model knows a candidate is not a known dead end, and the answer has to be grounded in evidence rather than in model confidence alone. The relationship is therefore a data and evaluation license rather than a patent or IP transaction. Entalpic does not need more discovery assets; it needs the missing training and evaluation signal, the uncertainty calibration layer, and the provenance API that lets its platform answer the "where did this come from" question with a traceable chain. Lattice Graph's PGM-free catalyst evidence in the governed graph adds direct domain relevance, making the partnership a tight thematic match rather than a general-purpose data augmentation play.

The challenge

Name a computational feat you think we can't do.

Here is the specific problem we would take on: given a target reaction class in industrial catalysis where PGM-free candidates are commercially required, identify which candidate compositions have been quietly ruled out in the experimental literature and internal datasets, characterize the thermodynamic and structural reasons those candidates failed, distinguish genuine dead ends from compositions that failed only under specific synthesis conditions and may still be viable under alternative routes, and return a provenance-grounded shortlist of candidates that survive the kill-edge filter, pass multi-engine thermodynamic stability consensus across MACE, CHGNet, and DFT, and sit in demonstrable IP whitespace. The challenge is not generating candidates, which any foundation model can do, but knowing which of those candidates are already known failures and why, and that is precisely what the negatives atlas and cross-source trust layer are built to answer.

Send us a challenge →

Data & eval products for Entalpic

Live data and API products running on our production platform — licensed to your team, with full schemas and access terms on request.

The three data products available to Entalpic map directly onto the three most common failure modes in a catalysis AI pipeline. The Negatives and Eval-Data Atlas is the lead product and the hardest asset to reconstruct independently. It contains more than 23,000 labeled failed-experiment records and kill edges, the compositions and conditions that were tried and ruled out, which are the anti-signal that public repositories like the Materials Project or GNoME outputs do not carry. Entalpic can pull the catalysis-relevant slice of this atlas into its training loop to reduce false-positive candidate rates, use it as a held-out evaluation benchmark to measure calibration honestly, and wire it into its generation pipeline as a pre-customer-delivery filter. Because the internal kill set is not reproducible from literature scraping, integrating it changes the model's behavior rather than simply padding its training corpus with redundant positives. The Trust and Disagreement Signals product addresses the calibration problem. Where cross-source DFT calculations, ML interatomic potential predictions, and experimental records disagree on a property, that disagreement is flagged explicitly with calibrated bounds, allowing Entalpic to characterize its own confidence estimates against an independent adjudication. For catalytic stability and formation energy, where a single optimistic calculation can send a candidate forward that should be filtered, pairing Entalpic's predictions with cross-source trust scores is the difference between a point estimate and a defensible uncertainty range. The Knowledge-Graph API is the provenance layer that grounds everything downstream. Entalpic can query across the composition-to-structure-to-property-to-patent-to-recipe graph in natural language, attach traceable evidence chains to candidate outputs, and answer the "where does this come from" question that industrial and pharma customers will ask. The PGM-free catalyst evidence in the governed graph is on-domain provenance directly relevant to Entalpic's catalysis focus, and the API is designed to embed into Entalpic's existing evaluation pipeline rather than requiring scientists to switch tools.

Negatives & Eval-Data Atlas

23,196 failed-experiment / kill edges plus the honest-negatives set — the labeled negative results most models never see. License for training, eval, and benchmark hardening.

Trust & Disagreement Signals

Cross-source disagreement flags and calibrated prediction bounds — the uncertainty layer for eval pipelines and model QA.

Knowledge-Graph API

Provenance, composition-360, evidence neighborhoods, and natural-language graph queries across the materials knowledge graph.

In the platform for Entalpic

The most heavily used surfaces for Entalpic's team would be the knowledge-graph explorer and the composition-intelligence reports, operated as an evidence workbench alongside Entalpic's own generative models. A researcher can drive the graph explorer from a candidate catalyst composition, traverse the composition-to-structure-to-property-to-patent-to-recipe subgraph, and retrieve a composition-intelligence report that consolidates the cross-source DFT trust view, the disagreement signals, and the negatives status in one place. The practical effect is that a generated candidate lands with an immediate read on whether it is novel and clean, contested across sources, or already a recorded failure, transforming a model output into a recommendation with an auditable evidence trail. Batch screening, the catalyst and synthesis workflow templates, and the ML formation-energy predictor are the day-to-day computational tools. Entalpic can run an entire generation output through the kill-edge filter in a single batch pass rather than candidate by candidate, route survivors through the synthesis workflow templates to see plausible proof gates and route options, and use the formation-energy predictor as an independent cross-check on its own stability estimates. The natural-language graph query interface allows team members who are not graph query specialists to interrogate provenance and evidence neighborhoods directly, and the API endpoints that back the dashboard can be embedded into Entalpic's own evaluation pipeline so that the negatives and trust layers function as automated guardrails rather than manual review steps.

How an engagement works

Because Entalpic's engagement archetype is data and evaluation rather than asset licensing, the practical entry point is a scoped negatives audit. Entalpic gets time-bounded access to the Negatives and Eval-Data Atlas, the Trust and Disagreement Signals, and the Knowledge-Graph API, and runs the catalysis-relevant slice against its own held-out evaluation set to measure directly how much the labeled failures and disagreement signals improve calibration and reduce false-positive candidate rates. The audit is designed to produce the internal evidence Entalpic needs to justify a recurring license, and the deliverable is a calibration report comparing Entalpic's baseline against the augmented pipeline, with specific attention to the catalysis-relevant kill edges and PGM-free evidence coverage. That audit converts naturally into an ongoing data and evaluation license that wires the three API products into Entalpic's training and evaluation loop on a recurring basis, with access scope, call volume, and refresh cadence negotiated based on what the audit demonstrates. The pricing context provided positions an initial negatives audit for a focused AI-materials lab in the range of roughly $40,000 to $75,000 to scope and characterize the dataset; a recurring production license would be structured above that level and negotiated after the audit findings are in hand. Optional expansions include supply-chain and feedstock-concentration intelligence and freedom-to-operate filtering on generated candidates if Entalpic later wants to layer those signals into its candidate-delivery workflow.

Build the Entalpic package

Request a sample of the negatives/eval set, the data dictionary, and license terms.

Company names, logos, and trademarks are the property of their respective owners and are referenced here for identification and illustrative purposes only. Their inclusion reflects Lattice Graph's own analysis of where its portfolio may be relevant and does not imply any partnership, endorsement, affiliation, sponsorship, or existing commercial relationship.
Results are informational and should be validated by qualified professionals. See Terms of Service