Python module for adsorption structure generation and potential energy surface scans of molecule–surface systems using Bayesian Optimization (BOSS)-guided structure generation and MACE machine-learned potentials.
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Updated
Apr 27, 2026 - Python
Python module for adsorption structure generation and potential energy surface scans of molecule–surface systems using Bayesian Optimization (BOSS)-guided structure generation and MACE machine-learned potentials.
This project implements a web application for predicting restaurant ratings based on various parameters using a Machine Learning model. The application consists of a Flask backend for handling predictions and a React frontend for user interaction.
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