| # Third-party model weights |
|
|
| ## `orb-v3-direct-20-omat-20250404.ckpt` |
|
|
| ORB-v3 machine-learned interatomic potential, used by this project **only to build the |
| ORB atom-embedding caches**. It is redistributed here unmodified, as a convenience, because |
| the cache-building step cannot run without it. |
|
|
| | | | |
| |---|---| |
| | Upstream | [orbital-materials/orb-models](https://github.com/orbital-materials/orb-models) | |
| | Official download | `https://orbitalmaterials-public-models.s3.us-west-1.amazonaws.com/forcefields/orb-v3/orb-v3-direct-20-omat-20250404.ckpt` | |
| | Size | 98 MiB | |
| | `sha256` | `5b8dcf334f0bd47a9a84b62f07cee1f819e2293cb665fe423213b23b5f9c3c49` | |
| | License | Apache License 2.0 — see `LICENSE-orb-models.txt` | |
| | Modified? | **No.** Byte-identical to the official release. | |
|
|
| Copyright belongs to Orbital Materials. This redistribution is made under the terms of the |
| Apache License 2.0; the license text is included alongside this file. |
|
|
| ### Verify after download |
|
|
| ```bash |
| sha256sum orb-v3-direct-20-omat-20250404.ckpt |
| # expected: 5b8dcf334f0bd47a9a84b62f07cee1f819e2293cb665fe423213b23b5f9c3c49 |
| ``` |
|
|
| ### Where it goes |
|
|
| Place it at `$PROJECT_ROOT/models/orb-v3-direct-20-omat-20250404.ckpt`. |
|
|
| ### What actually reads it |
|
|
| - **Stage-2 property training does NOT read this checkpoint.** It only reads the prebuilt |
| ORB caches given by `--cache-prefix`. If a run asks for this file, it means it is |
| *building* caches rather than consuming them. |
| - The evaluation path pins this exact hash as `cache_encoder_weights_sha256` in |
| `3D_Property/step_6500/checkpoint_metadata.json` and compares against it, so a mismatched |
| or re-downloaded-but-different checkpoint will fail the check. |
|
|
