Reference#
Lookup tables, syntax references, and generated API docs for RFD4-Proteina. Reach for this section once you already know roughly what you’re doing and need to look something up; for task-oriented walkthroughs, start at Workflow instead.
rfd4-generate,
rfd4-evaluate, rfd4-train, and rfd4-train-ae, with
types, defaults, and examples.
YAML/JSON condition spec
Every field and condition annotation accepted in a YAML/JSON
condition-spec input file.
Metrics
Every metric, oracle, pass criterion, and pre-oracle filter that
ships, and the tag that turns each one on.
Search parameters
Every parameter accepted under the search block for
reward guided (beam) search, including per-checkpoint fields, reward terms, and threshold
criteria.
Output format
How generated designs and refolds are addressed, tagged, and
annotated.
Troubleshooting
An index of every FAQ and troubleshooting table across the
docs, linking to each one in place.
See API reference below for the reusable Python components behind the Hydra and CLI workflows.
API reference#
These pages are generated from the package’s Google style docstrings. You configure RFD4-Proteina mostly through Hydra and its command line entry points, so what follows documents the reusable Python components sitting behind those workflows, grouped by pipeline stage rather than alphabetically.
Data and conditioning#
Parsing structures into tokens, annotating and cropping them, and resolving conditions onto a batch.
- Conditions
HotspotRasaEnumRasaHBondEnumHydrogenBondPiStackingPiCationEnumPiCationSaltBridgeEnumSaltBridgeHydrophobicMetalCoordEnumMetalCoordinationSecondaryStructureIndexGroupCathLabelInternalCoordinateChainCentroidCoordinateGroupBasePairEnumBasePairNucleicSSStateSequenceProbabilityC_HOTC_RASC_SECC_HBC_PISTACKC_PICATIONC_SALTC_HPHOBC_MCOORDC_IDXGRPC_CATHC_INTCRDC_CRDGRPC_CENTROIDC_BPC_NA_SS_STATEC_SEQ_PROB_AC_SEQ_PROB_ALAC_SEQ_PROB_ARGC_SEQ_PROB_ASNC_SEQ_PROB_ASPC_SEQ_PROB_CC_SEQ_PROB_CYSC_SEQ_PROB_DAC_SEQ_PROB_DCC_SEQ_PROB_DGC_SEQ_PROB_DTC_SEQ_PROB_GC_SEQ_PROB_GLNC_SEQ_PROB_GLUC_SEQ_PROB_GLYC_SEQ_PROB_HISC_SEQ_PROB_ILEC_SEQ_PROB_LEUC_SEQ_PROB_LYSC_SEQ_PROB_METC_SEQ_PROB_PHEC_SEQ_PROB_PROC_SEQ_PROB_SERC_SEQ_PROB_THRC_SEQ_PROB_TRPC_SEQ_PROB_TYRC_SEQ_PROB_UC_SEQ_PROB_VAL
- Transforms
Generation, search, and evaluation#
Composing inputs, running reward-guided search, scoring trajectories, and aggregating metrics once samples are written.
