Pull Request №446 RosettaCommons/RFdiffusion/main ← haoyu-haoyu/RFdiffusion/feat/add-input-validation
Merge: 9535f1938203a24937d7dadf0cb831d02cb5fc0e←ac7215240a48d6e41d78dc5ae18204d5a617115b
feat: add input validation for early error detection
----------------
Merge commit message:
feat: add input validation layer for early error detection
Add rfdiffusion/validation.py with validators for:
- PDB file existence and ATOM record format
- Contig string syntax (ranges, chain-residue specs)
- Model checkpoint existence
- Hotspot residue format (chain letter + number)
- Diffuser config parameters (T, partial_T bounds)
Validators are called in Sampler.initialize() and sample_init(), before
GPU allocation and model loading, so users get clear error messages
instead of cryptic tensor shape mismatches.