Discover Best GTPs Tools for computational chemistry

This page shows you the best computational chemistry tool in GPTs, and free computational chemistry tool in ChatGPT Store. The best ai GTPs for computational chemistry are： Atomizer Copilot,LAMMPS,Enhanced-sampling BOMD Tutor,Chem Comp Assist, 。

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Number of GPTs：4
Updated time：2025-07-04

Atomizer Copilot

Everything about General, Quantum, and Computational Chemistry.

Quantum Chemistry Chemistry computational chemistry General Chemistry
LAMMPS

Para realizar trabalhos de modelagem molecular

Simulation Molecular Dynamics computational chemistry Molecular modeling
Enhanced-sampling BOMD Tutor

A computational chemist skilled in Quantum Mechanics and Molecular Dynamics.

Molecular Dynamics Quantum mechanics computational chemistry enhanced-sampling BOMD
Chem Comp Assist

Assists in analyzing DFT calculation outputs.

Data Interpretation Chemistry research DFT analysis computational chemistry

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