Anthropic’s new chemistry report has a genuinely wild result.

Rohan Paul Twitter · Rohan Paul (@rohanpaul_ai) · 2026-06-05

Anthropic's chemistry evaluation report shows Claude Opus 4.7 matching dedicated NMR software performance, including the ability to infer molecular structure by working backwards from spectral data.

Open original ↗

Extraction

Topics: claude-opus-4.7chemistry-ainmr-spectroscopyllm-benchmarks

Claims

Claude Opus 4.7 performs at a level competitive with dedicated NMR software on chemistry tasks.
Claude Opus 4.7 can infer molecular structure from NMR spectra, working the problem in reverse.
Anthropic published a chemistry-specific evaluation report covering these results.

Key quotes

Claude Opus 4.7 is now competitive with dedicated NMR software, and the bigger story is that it can work the problem backwards, i.e. infer the molecule from the spectrum.