Molecular design software

Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo.

In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including:
 * Molecular graphics
 * interactive molecular drawing and conformational editing
 * building polymeric molecules, crystals, and solvated systems
 * partial charges development
 * geometry optimization
 * support for the different aspects of force field development

Comparison of software covering the major aspects of molecular design
• 3D – molecular graphics

• Mouse – drawing molecule by mouse

• Poly – polymer building

• DNA – nucleic acid building

• Pept – peptide building

• Cryst – crystal building

• Solv – solvent addition

• Q – partial charges

• Dock – docking

• Min – optimization

• MM – molecular mechanics

• QM – quantum mechanics

• FF – supports force field development

• QSAR – 2D, 3D, and group QSAR

• FBLD - Fragment Based Ligand Design

• FE - Free Energy approximations

• SN - Space Navigation