Add conversion for RDKit from SMILES to Formula #177

Closed

Assignees

opened

Add conversion functions to the RDKit ComputeConverter to go from smiles, isomeric_smiles or canonical smiles to formula

Metadata

Assignees

Labels

No labels

No labels

Type

No type

Fields

No fields configured for issues without a type.

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests