MolAgent
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About MolAgent

MolAgent builds AI agents for molecular simulation. The company was founded by a computational chemist and an AI engineer.

Founders

Portrait of Shamil Saiev

Shamil Saiev

Co-founder, scientific director

  • PhD in computational chemistry, research assistant professor
  • More than ten years in molecular simulation, from quantum chemistry to coarse-grained models
  • Defines the methods and the level of validation in MolAgent

LinkedIn

Portrait of Aslan Vatsaev

Aslan Vatsaev

Co-founder, AI engineering

  • Generative AI engineer at Edenred, previously at Doctolib
  • Former R&D engineer at IRCAD, Strasbourg
  • Specialist in AI systems that run locally
  • Designs the agent architecture and its deployment

LinkedIn and GitHub

Contact

For pilots, collaborations and questions about the software.

Early access

MolAgent is in alpha. We are installing it with a small number of research groups now; a private beta opens in 2027. Write to us with the systems you study, the codes you use and the machines you compute on.

Request early access How setup works

Or write to contact@molagent.ai.