File size: 1,428 Bytes
373e2bb | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 | # 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.
|