ChatMol is building the AI-native operating system for biological sciences and engineering.

We transform natural language into executable molecular workflows — enabling scientists, simulation engineers, and biotech teams to move from hypothesis to simulation to insight dramatically faster.

Computational molecular science is:

• Complex and tool-fragmented
• Dependent on legacy interfaces
• Difficult to scale across teams
• Bottlenecked by domain expertise

Despite billions spent annually on molecular R&D, simulation tools remain command-line driven, configuration-heavy, and inaccessible to non-experts.

AI copilots transformed software development. Scientific computing is next.

ChatMol introduces a new abstraction layer:

Natural Language → Structured Scientific Reasoning → Executable Simulation Workflows

We build:

• ChatMol Copilot — The first computational biology agent, published in ACL 2024
• GROMACS Copilot — AI copilot for molecular dynamics
• molecule-mcp — Infrastructure connecting AI agents to simulation engines
• ChatMol Lab — Cloud-based AI-assisted molecular modeling platform

Together, these form the foundation for AI-augmented and eventually autonomous molecular research environments.

Long term, we enable:

• Autonomous AI agents designing molecular systems
• AI-driven simulation loops with optimization feedback
• Conversational scientific computing environments
• Fully AI-augmented research labs

ChatMol aims to become the foundational layer for next-generation molecular discovery.