Refine OFoldX model card provenance
Browse files
README.md
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@@ -49,6 +49,7 @@ Converted Boltz-2 structure-prediction checkpoint for biomolecular interaction m
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- **Upstream Project**: Boltz-2
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- **Source Checkpoint**: `boltz2_conf_final.ckpt`
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- **Primary Paper**: [Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction](https://doi.org/10.1101/2025.06.14.659707)
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- **Upstream License**: MIT for upstream Boltz code and weights
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- **Hub repository**: [oteam/boltz2](https://huggingface.co/oteam/boltz2)
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- **Upstream paper**: [Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction](https://doi.org/10.1101/2025.06.14.659707)
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- **Upstream repository**: [Boltz-2](https://github.com/jwohlwend/boltz)
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- **Code**: [`ofoldx/models/boltz2/model.py`](https://github.com/OTeam-AI4S/OFoldX/tree/main/ofoldx/models/boltz2/model.py)
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- **Project repository**: [https://github.com/OTeam-AI4S/OFoldX](https://github.com/OTeam-AI4S/OFoldX)
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- **Issues**: [https://github.com/OTeam-AI4S/OFoldX/issues](https://github.com/OTeam-AI4S/OFoldX/issues)
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### Training Data
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The
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### Training Procedure
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OFoldX converts
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## Evaluation
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- **Upstream Project**: Boltz-2
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- **Source Checkpoint**: `boltz2_conf_final.ckpt`
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- **Source Release**: [https://huggingface.co/boltzgen/boltzgen-1](https://huggingface.co/boltzgen/boltzgen-1)
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- **Primary Paper**: [Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction](https://doi.org/10.1101/2025.06.14.659707)
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- **Upstream License**: MIT for upstream Boltz code and weights
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- **Hub repository**: [oteam/boltz2](https://huggingface.co/oteam/boltz2)
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- **Upstream paper**: [Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction](https://doi.org/10.1101/2025.06.14.659707)
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- **Upstream repository**: [Boltz-2](https://github.com/jwohlwend/boltz)
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- **Source checkpoint release**: [https://huggingface.co/boltzgen/boltzgen-1](https://huggingface.co/boltzgen/boltzgen-1)
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- **Code**: [`ofoldx/models/boltz2/model.py`](https://github.com/OTeam-AI4S/OFoldX/tree/main/ofoldx/models/boltz2/model.py)
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- **Project repository**: [https://github.com/OTeam-AI4S/OFoldX](https://github.com/OTeam-AI4S/OFoldX)
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- **Issues**: [https://github.com/OTeam-AI4S/OFoldX/issues](https://github.com/OTeam-AI4S/OFoldX/issues)
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### Training Data
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The Boltz-2 report describes structure data from PDB structures before 2023-06-01, experimental NMR collections, MD trajectory datasets, AF2 monomer distillation, Boltz-1 complex distillation, and affinity data from PubChem, ChEMBL, BindingDB, and related filtered assay sources. OFoldX does not redistribute the training set.
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### Training Procedure
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Upstream Boltz-2 training is staged across structure, confidence, and affinity objectives. This OFoldX artifact converts a released checkpoint into `model.safetensors` plus an OFoldX manifest; it does not run Boltz-2 training.
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## Evaluation
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