Design. Validate. Advance.
We design new formulations and materials through the fusion of computation and experimentation.
Our models
RetroTransformer v2
Retrosynthesis that plans routes the way a chemist does.
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Marcus
Full reaction conditions - catalyst, solvents and reagents predicted jointly: state of the art at every k, measured on 68,075 test reactions.
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Larmor
Per-atom NMR shift prediction: state of the art on carbon-attached 1H at 0.137 ppm, ahead of every same-split method on 13C.
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Synthon
Single-step retrosynthesis at 66.2% Top-1 (74.1% class-known), ahead of R-SMILES at every k on USPTO-50K.
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ChromPeakNet
Chromatographic peak detection that reads raw traces like an analyst: 99.2% of detectable peaks, zero false positives.
Read the researchOur closed-loop discovery engine
From hypothesis to high-performance materials.
01
Target definition
02
Computational candidate generation
03
Predictive screening
04
Ranking & selection
05
Experimental validation
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Feedback into the model