RBFE workflows¶

Relative binding free energy (RBFE) in the drug discovery SDK is supported through:

• SystemPrep in RBFE mode — pass ligand1 and ligand2 instead of a single ligand. See the RBFE tutorial.
• Platform tool deeporigin.rbfe-end-to-end for end-to-end pairwise RBFE runs. Start executions via the Platform executions API using prepared system outputs from SystemPrep.run().

There is no deeporigin.drug_discovery.rbfe module in the SDK.