eln-chemotion

What problem does it solve?

This Skill streamlines chemical research workflows by providing an interface to integrate with Chemotion, an open-source electronic lab notebook, to manage compounds, reactions, and data in your research projects.

Core Features & Use Cases

• Electronic Lab Notebook Integration: Store and manage your compound data, reaction details, and analytical spectra.
• Automated Sample and Reaction Management: Programmatically create samples and reactions in your lab notebook, along with relevant information like SMILES, yield, and spectra.
• Use Case: Quickly record a reaction from scratch by creating a new sample, defining reactants and products, adding conditions, and importing NMR data, all through the Skill's interface.

Quick Start

Use the 'eln-chemotion' skill to create a new sample in your Chemotion instance, named 'Sample_A', with a SMILES string and add it to your inventory.