HuggingFace Causal LM
GT4SD — Property-Conditioned Molecular Generation
Unconditioned de-novo molecular generation via a causal language model fine-tuned on chemical SMILES.
Performance Metrics
| Metric | Value | Description |
|---|---|---|
| Published benchmarks | — | Model-dependent: GT4SD wraps many HuggingFace checkpoints and publishes no single number |
Test Set
Model-dependent (GuacaMol, MOSES)
Notes
Spectra offers no built-in checkpoint for this algorithm. It runs only with customer-supplied weights registered as a custom model, where the benchmarks are whatever that customer checkpoint achieves. GT4SD itself wraps many HuggingFace models, so there is no single published number for the algorithm.