gnina¶

Description¶

gnina (pronounced NEE-na) is a molecular docking program with integrated support for scoring and optimizing ligands using convolutional neural networks.

Environment Modules¶

Run module spider gnina to find out what environment modules are available for this application.

Environment Variables¶

HPC_GNINA_DIR - installation directory
HPC_APPTAINER_IMAGE - container image file

Categories¶

molecular, neural_network