io.github.Pavel-Tk/fittestother

Fittest

Verified · today

Three ML interatomic potentials check a molecule: trust (Beta-posterior score, 90% CI) or DFT.

Install

claude mcp add --transport http fittest https://fittest-mcp.westus2.cloudapp.azure.com/mcp

Our take

Uses three machine-learning interatomic potentials to assess molecular predictions and indicate when a more expensive DFT calculation may be appropriate. It is a specialized research tool for computational chemistry users, with a promising uncertainty-oriented approach but little visible adoption and no package distribution signal.

reviewed by hand · 2026-11-01

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Verification record

last verified
today
github stars
0
last commit
today
archived
no
license
MIT
in registry since
2026-10-31

github.com/Pavel-Tk/fittest

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