Show HN: Public validation suite for deterministic molecular simulation

BUDAPEST / REMOTE — EXXOGEN today published an open validation suite, releasing raw datasets and execution scripts that allow institutional partners to independently verify its deterministic molecular simulation infrastructure.

Key Benchmark Highlights (PDB: 1D66)

- Sub-Ångström Accuracy: 0.000499 Å spatial precision across 1,363 evaluated interaction vectors.

- Physical Energy Landscape: r = -0.9005 correlation between energy and distance.

- Symmetry Preservation: Strict translational and rotational SE(3) invariance (0.000499 Å} max error).

- Thermodynamic Stability: Validated Boltzmann partition function with a 2.305x bound-to-thermal energy separation ratio.

Unlike data-fitted machine learning models, EXXOGEN computes interactions directly from first-principles physics via a proprietary, closed-form analytical operator. The validation suite and datasets are available for independent verification.

Data & Script Access: Github

2026.09.21