DZ-FSDev/chemistry

Sample code from Chemoinformatics applications.

chemistry/cli

Contains command-line chemoinformatics clients.

chemistry/spring

Depicts any molecule or reaction with optional caption and atom numbering.

• InChI canonical standard service layers
• Add options to show molecular properties such as molecular weight and abundance.

Depicts any molecule or reaction with functional group highlighting.

• Add more functional groups.
• Add functional group user defined list extensions.