Update OFoldX model card metadata

README.md

@@ -43,6 +43,15 @@ before using the artifact for scientific or operational decisions.
 
 RFdiffusion backbone-generation model for protein design and motif scaffolding.
 
+Converted RFdiffusion checkpoint for backbone generation, motif scaffolding, and binder design.
+
+### Model Provenance
+
+- **Upstream Project**: RFdiffusion
+- **Source Checkpoint**: `Complex_base_ckpt.pt`
+- **Primary Paper**: [De novo design of protein structure and function with RFdiffusion](https://doi.org/10.1038/s41586-023-06415-8)
+- **Upstream License**: BSD for upstream RFdiffusion code and referenced model weights
+
 ### Model Specification
 
 | Field | Value |
@@ -54,10 +63,17 @@ RFdiffusion backbone-generation model for protein design and motif scaffolding.
 | Entrypoint | `ofoldx.models.rfdiffusion.model.RfDiffusionDesignGenerator` |
 | Config | `config.json` |
 | Weights | `model.safetensors` |
+| Source Checkpoint | `Complex_base_ckpt.pt` |
+| Checkpoint Variant | `Complex_base_ckpt` |
+
+> [!NOTE]
+> Source checkpoint: `Complex_base_ckpt.pt`.
 
 ### Links
 
 - **Hub repository**: [oteam/rfdiffusion-complex-base](https://huggingface.co/oteam/rfdiffusion-complex-base)
+- **Upstream paper**: [De novo design of protein structure and function with RFdiffusion](https://doi.org/10.1038/s41586-023-06415-8)
+- **Upstream repository**: [RFdiffusion](https://github.com/RosettaCommons/RFdiffusion)
 - **Code**: [`ofoldx/models/rfdiffusion/model.py`](https://github.com/OTeam-AI4S/OFoldX/tree/main/ofoldx/models/rfdiffusion/model.py)
 - **Project repository**: [https://github.com/OTeam-AI4S/OFoldX](https://github.com/OTeam-AI4S/OFoldX)
 - **Issues**: [https://github.com/OTeam-AI4S/OFoldX/issues](https://github.com/OTeam-AI4S/OFoldX/issues)
@@ -92,8 +108,16 @@ processed batch to the model.
 
 ## Training Details
 
-The training data and training procedure are inherited from the upstream checkpoint release. They are not
-reproduced inside this OFoldX artifact unless additional source-specific metadata is provided in the files.
+OFoldX did not train these weights. This repository contains a converted checkpoint and OFoldX runtime
+metadata for loading it.
+
+### Training Data
+
+RFdiffusion training and use are described in the upstream Nature paper and repository. OFoldX does not redistribute the training set.
+
+### Training Procedure
+
+OFoldX converts released RFdiffusion checkpoints into `model.safetensors`; it does not run RFdiffusion training.
 
 ## Evaluation
 
@@ -108,8 +132,20 @@ scientific evaluation should be checked against the corresponding upstream model
 
 ## Citation
 
-Please cite the upstream model or paper associated with the source checkpoint. If OFoldX supports your work,
-please also cite or link the OFoldX project repository.
+Please cite the upstream RFdiffusion work for the source checkpoint. If OFoldX supports your work, please also cite or link the OFoldX project repository.
+
+```bibtex
+@article{watson2023denovo,
+  author = {Watson, Joseph L. and Juergens, David and Bennett, Nathaniel R. and Trippe, Brian L. and Yim, Jason and Eisenach, Helen E. and Ahern, Woody and Borst, Andrew J. and Ragotte, Robert J. and Milles, Lukas F. and others},
+  title = {De novo design of protein structure and function with RFdiffusion},
+  journal = {Nature},
+  volume = {620},
+  number = {7976},
+  pages = {1089--1100},
+  year = {2023},
+  doi = {10.1038/s41586-023-06415-8}
+}
+```
 
 ## Contact
 
@@ -117,5 +153,5 @@ Please use [OFoldX GitHub issues](https://github.com/OTeam-AI4S/OFoldX/issues) f
 
 ## License
 
-The OFoldX project license is not yet finalized. The source checkpoint may carry additional upstream license
-terms; review both OFoldX and upstream terms before redistribution or production use.
+The OFoldX project license is not yet finalized.
+The source checkpoint is associated with the upstream license noted above: BSD for upstream RFdiffusion code and referenced model weights. Review both OFoldX and upstream terms before redistribution or production use.