Hgraph2graph
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Description
Hierarchical Generation of Molecular Graphs using Structural Motifs
Environment Modules
Run module spider hgraph2graph to find out what environment modules are available for this application.
System Variables
- HPC_HGRAPH2GRAPH_DIR - installation directory
- HPC_HGRAPH2GRAPH_BIN - executable directory
Additional Information
The scripts for this software should be execytes using the path from the HPC_HGRAPH2GRAPH_BIN environment variable. For example, when instructed to run the command
python get_vocab.py ...
use instead:
python ${HPC_HGRAPH2GRAPH_DIR}/get_vocab.py ...
Job Script Examples
See the Hgraph2graph_Job_Scripts page for hgraph2graph Job script examples.