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Bibliographic Details
Main Authors: Jéré, Quentin, Toucouère, Lorris, Poteau, Romuald
Format: Recurso digital
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Published: Zenodo 2026
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Online Access:https://doi.org/10.5281/zenodo.19348666
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Table of Contents:
  • pyphyschemtools provides a unified Python ecosystem for physical chemistry research and education. It acts as an "API of APIs" for computational workflows (VASP, Gaussian, LOBSTER), microkinetics simulations (KORD), 3D visualization, cheminformatics tools, and other topics.