Scorpion envenomation is a neglected tropical disease that kills more than 3,250 people a year, and the antivenoms used against it are animal-derived. Anthropic ran a design campaign against it in which Claude worked with considerable autonomy for 64 hours, from one initial prompt and four follow-up directives, choosing its own quality thresholds and tools along the way.
Claude used 12 design tools to generate 318,484 candidate proteins and screened 553,052 design-toxin pairs, about 10,000 GPU hours in all, before narrowing the set to the 211 single-domain designs tested here. Of those, 60 target an individual toxin, 30 the beta-family toxins, 30 the alpha-family toxins, and 91 all five toxins at once.
The five neurotoxins come from four scorpion species: Cn2 (Mexico), Ts1 (Brazil), AaH I and AaH II (North Africa) and LqhIII (the Middle East).
679 design-toxin measurements from Adaptyv Bio's five affinity experiments, one for each design against each toxin it was tested on. Every measurement carries its per-replicate KD, k_on and k_off from surface plasmon resonance with 95% confidence intervals, the binding model and fit quality, along with binding calls, binding strength and expression.
Each design also has computational metrics: an ESMFold2 monomer structure with its domain and novelty analysis, and a Boltz-2 prediction of the complex with the toxin it was designed against.
id: swift-lynx-vine

Multiple (3)
Strong (2)
85.21
True
11.9 kDa
104
id: amber-cobra-lava

LqhIII
Strong
4.3e-9 M
True
10.6 kDa
99
id: brisk-wolf-birch

Multiple (3)
Strong (2)
75.33
True
8.6 kDa
81
id: mellow-deer-marble

AaH I
Strong
6.5e-9 M
True
8.1 kDa
75
id: pale-deer-clay

Multiple (3)
Strong (7)
88.43
True
12.5 kDa
109
id: golden-bear-cypress

Ts1
Strong
1.7e-8 M
True
11.8 kDa
100
id: deep-kiwi-ice

Multiple (5)
Strong (2)
80.66
True
19.0 kDa
174
id: azure-lynx-maple

LqhIII
Strong
4.1e-8 M
True
8.9 kDa
78
id: quiet-lion-marble

Multiple (5)
Medium (1), Strong (1)
94.19
True
26.9 kDa
234
id: crimson-orca-dust

Multiple (5)
Medium (1), Strong (1)
93.37
True
27.1 kDa
234
id: silver-crow-lotus

Multiple (5)
Medium (1), Strong (1)
88.39
True
27.0 kDa
234
id: violet-crane-pearl

Multiple (5)
Medium (4), Strong (4)
93.76
True
27.1 kDa
234
id: frozen-heron-quartz

AaH I
Strong
6.3e-8 M
True
10.9 kDa
93
id: steady-dove-willow

Multiple (2)
Medium (2)
84.46
True
11.6 kDa
97
id: pale-jaguar-flint

Multiple (5)
Medium (2)
90.12
True
25.0 kDa
222
id: azure-eagle-lotus

Multiple (3)
Medium (2)
85.33
True
10.4 kDa
95
id: calm-orca-fern

Multiple (2)
Medium (2)
82.56
True
9.5 kDa
85
id: frozen-boar-granite

Multiple (5)
Medium (3), Strong (4)
90.63
True
26.9 kDa
234
id: gentle-fox-quartz

Multiple (2)
Medium (3)
81.11
True
12.0 kDa
110
id: young-goat-crystal

Multiple (3)
Medium (1), Strong (1)
82.17
True
12.6 kDa
107
id: radiant-owl-plume

Multiple (5)
Medium (2)
93.09
True
26.8 kDa
234