Generalise or Memorise? Benchmarking Ligand-Conditioned Protein Generation from Sequence-Only Data
This paper benchmarks ligand-conditioned protein generation using sequence-only data, revealing a fundamental trade-off where models trained on sparse ligand-protein pairs produce foldable but less diverse sequences, while those trained on abundant pairs yield more diverse but less reliably foldable candidates, ultimately highlighting dataset redundancy and incompleteness as critical bottlenecks.