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
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

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.