Molecules Explorer
The Molecules Explorer app is a new feature of the Materials Project. It enables searching for molecules relevant for electrolyte applications. The API is similar to that of Materials Explorer, where the user can query by one of the following methods:
  • Elements only;
  • Chemical formula;
  • SMILES string;
  • Molecule ID.
Upon receiving the query, Molecules Explorer outputs the search result, including information of the relevant molecules based on the query. For each molecule, the following properties are provided:
  • Electron Affinity;
  • Ionization Energy;
  • SMILES string representation;
  • Charges;
  • Point Group.
Last modified 25d ago
Export as PDF
Copy link
Edit on GitHub