diffdock¶
Description¶
Diffdock predicts the 3D structure of the interaction between a molecule and a protein. Reference:
Environment Modules¶
Run module spider diffdock-nim to find out what environment modules are available for this application.
Environment Variables¶
- HPC_DIFFDOCK_DIR - installation directory
- HPC_DIFFDOCK_BIN - executable directory
- HPC_DIFFDOCK_IMAGE - the diffdock nim container image
Categories¶
docking, drug discovery