The Abiogenesis Simulator is a computational pipeline developed for the systematic prediction of prebiotic chemical evolution and proto-life potential on planetary bodies. The system integrates the MINE reaction network expansion framework with RDKit cheminformatics libraries to simulate multi-stage chemical progression from atmospheric precursors through increasingly complex molecular assemblies. The pipeline implements five sequential stages of prebiotic chemistry: formation of simple organic molecules such as aldehydes, hydrogen cyanide, and carboxylic acids; synthesis of amino acids and nucleotide precursors; polymerization into peptides, proto-RNA oligomers, and lipid vesicles; establishment of autocatalytic networks; and evaluation of overall proto-life potential, including dominant biochemical pathways. Reaction routing accounts for multiple solvent environments (water, ammonia, methane), with solvent-specific chemistry and hard physical constraints based on liquid-phase stability ranges. Multiplicative gating combined with Gaussian response functions for temperature and pH ensures physically realistic behavior, particularly under extreme conditions. The simulator supports both manual planetary parameter specification and automated ingestion of observational data from the NASA Exoplanet Archive and JWST atmospheric spectroscopy. For each simulation, the system outputs specific predicted molecules with associated formation rationales, computed physicochemical properties (molecular weight, logP, hydrogen-bonding patterns, and environmental stability scores), planetary environmental profiles, chemical evolution timelines scaled to geological timescales, and reasoned assessments of potential proto-organism characteristics. Validation against established scientific consensus rankings for seven reference planetary bodies, spanning confirmed life-bearing conditions to uninhabitable environments, demonstrates strong agreement with a Spearman rank correlation coefficient of 0.993. Live Demo: https://abiogenisis-simulator-2.onrender.com/ Source Code: https://github.com/achinthsk/Abiogenisis-Simulator This pipeline provides a reproducible and transparent framework for prebiotic chemistry modeling, exoplanet habitability screening, and astrobiological research.
Achinth S K (Thu,) studied this question.
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