3 projects
atoms-vscode-runtime
Atoms VS Code Python runtime and MCP server for atomic structure analysis
autoadsorbate
AutoAdsorbate is a lightweight and easy-to-use Python package for generating chemically meaningful configurations of molecules and fragments on surfaces. Built with minimal dependencies and a low barrier to entry, it enables rapid setup of surface-adsorbate systems using the Surrogate-SMILES (*SMILES) representation. Ideal for researchers in catalysis, nanotech, and materials science, AutoAdsorbate streamlines dataset generation for simulations and machine learning workflows.
mlipx
Machine-Learned Interatomic Potential eXploration
