| # Supported Models |
|
|
| OpenDDE currently exposes one public model: |
|
|
| | Model name | MSA / Constraint / RNA MSA / Template | Model Parameters (M) | Data cutoff | |
| | --- | :---: | ---: | :---: | |
| | `opendde_v1` | ✓ / × / ✓ / ✓ | 656 | 2021-09-30 | |
|
|
| Exact parameter count: `655,791,538`, rounded to `656 M`. |
| `opendde_v1` uses the defaults in `opendde/config/model_base.py`. |
|
|
| Use it with: |
|
|
| ```bash |
| opendde pred -i examples/input.json -o ./output -n opendde_v1 |
| ``` |
|
|
| Checkpoint path by default: |
|
|
| ```text |
| $OPENDDE_ROOT_DIR/checkpoint/opendde.pt |
| ``` |
|
|
| ## Released Checkpoints |
|
|
| | Checkpoint | Use case | Download | |
| | --- | --- | --- | |
| | `opendde.pt` | General-purpose OpenDDE checkpoint. | [opendde.pt](https://huggingface.co/aurekaresearch/OpenDDE/resolve/main/opendde.pt) | |
| | `opendde_abag.pt` | ABAG-optimized checkpoint for antibody-antigen complexes. | [opendde_abag.pt](https://huggingface.co/aurekaresearch/OpenDDE/resolve/main/opendde_abag.pt) | |
|
|
| `opendde.pt` is the default checkpoint for `-n opendde_v1`. Keep the |
| ABAG-optimized checkpoint as `opendde_abag.pt` and pass it explicitly with |
| `--load_checkpoint_path`. |
|
|
| Recommended inference defaults: |
|
|
| - `model.N_cycle = 10` |
| - `sample_diffusion.N_step = 200` |
| - triangle kernels: `auto` |
|
|
| These are also the current `opendde pred` CLI defaults for `opendde_v1`. |
|
|
| Legacy `constraint` fields are ignored by the inference-only build. Use |
| `covalent_bonds` for supported covalent links. |
|
|
