Publish AMARO2 model card; checkpoints on the way

README.md

@@ -44,9 +44,6 @@ The checkpoint files and `v2.0` release tag are not available yet.
 | --- | --- | --- |
 | `v2.0` | `amaro_v2_sm.ckpt`, `amaro_v2_p.ckpt`, `amaro_v2.ckpt` | Extended no-hydrogen (NOH) solute mapping |
 
-Once the checkpoints are published, use a release tag or full commit SHA for
-reproducible downloads. `main` follows the latest model card and can change
-between releases.
 
 ## AMARO v2 training stages
 
@@ -59,14 +56,6 @@ sequence. Each stage continues training from the preceding stage:
 | 2: proteins | `amaro_v2_p.ckpt` | Protein conformations from mdCATH, with molecular-mechanics force labels | Intermediate checkpoint after protein training |
 | 3: protein–ligand complexes | `amaro_v2.ckpt` | Acellera HoloSet protein–ligand conformations, with molecular-mechanics force labels | Final AMARO v2.0 model in the preprint |
 
-Use `amaro_v2.ckpt` to reproduce the final model evaluated for biomolecular
-complex dynamics. Use `amaro_v2_sm.ckpt` for the preprint's small-molecule-stage
-comparisons, and `amaro_v2_p.ckpt` for comparisons with the intermediate protein
-stage. The final model does not uniformly improve every property: the preprint
-reports lower small-molecule force errors and closer local-geometry distributions
-for the SM checkpoint, while the final model is more robust at the tested MD
-time steps. No separate validation claim is made here for the protein checkpoint.
-
 ### Inputs and outputs
 
 AMARO v2 uses NOH species IDs, which encode retained elements and, where
@@ -111,11 +100,9 @@ checkpoint = hf_hub_download(
 )
 ```
 
-Select another v2 variant by changing `filename`. For now, `SHA256SUMS` covers
-this model card and its figure. The checkpoint release will also include
-checksums for the three checkpoint files at the same revision.
+Select another v2 variant by changing `filename`. 
 
-To download all three training stages:
+To download all three ckpts training stages:
 
 ```bash
 hf download compsciencelab/AMARO2 \
@@ -125,9 +112,7 @@ hf download compsciencelab/AMARO2 \
 
 ## License
 
-AMARO v2 checkpoint licensing is pending author confirmation. The preprint
-does not specify a checkpoint license. Licensing of the original v1 release
-does not establish licensing for these v2 checkpoints.
+AMARO v2 checkpoint licensing to define.
 
 ## Citation
 

SHA256SUMS

@@ -1,2 +1,2 @@
-cffa64c268873c1994abfa5c9609a6e3a7d3ad5977fe266a4255da03183bd754  README.md
+8a4aa695e1fef8af2e3f9c77107efa4f988241e53973fd3fc2c44004879ba4ef  README.md
 1851f74f78f57a5e644036278c9f75e8509238edabb53a5e280c9f0e8c70f7a5  assets/social-preview-fig-amaro2.webp