CULGI software is one of the very few packages available in the world that includes all relevant aspects of computational chemistry. It ranges from quantum to molecular and coarse-grained modeling, to informatics and thermodynamics.
A unique and compelling feature of CULGI software is the concept of scripted workflows. Workflows can be edited through either our proprietary graphical scripting editor or Python scripting.
In a typical application, a tailored script is made by either the client or us in a service contract.
Scripting is the key to success, in modeling a wide variety of systems.
If you would like to know more about our features, please click on one of the links below, and read further.
With the Culgi software package you have the capability to run quantum mechanical calculations on single molecules, crystal structures and condensed phase systems using the most popular density functionals. In addition a range of semi-empirical methods, such as AM1, are available.
In Culgi you will find all the commonly used coarse-grained simulation engines, from coarse-grained Molecular Dynamics to Dissipative Particle Dynamics and a unique hybrid particle-field method
Culgi is packaged with its own molecular database comprising over 11000 pre-computed molecular structures and related thermodynamic properties. In addition a range of QSAR/QSPR descriptors and regression calculators are available
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