* Upload Dockerfile to examples
* Update Foundry README with Docker information
- There is an image for Foundry on DockerHub
- Example recipe is in `foundry/examples/docker`
---------
Co-authored-by: Rachel Clune <rachel.clune@omsf.io>
feat: Add Intel XPU support for all models
- Add XPU accelerator, precision, and strategy classes
- Update DDP utilities to detect and use Intel XPU
- Add XPU trainer configs for RF3 and RFD3
- Update MPNN inference engine for XPU compatibility
- Update README with XPU documentation
* initial progress on documentation cleanup
* formatting input.md
* docs: more documentation for ppi and sm binder design
* fix typo
---------
Co-authored-by: Rohith Krishna <rohith@localhost>
* mc
* Add base class for inference engine
* refactor inference engine
* Move constants and components out of rfd3 folder
* Fixes to engine
* Update with working checkpoint
* revert layer utils
* Fix more imports
* Move alignment, conditiontransitionblock
* Update sampler name
* mc
* More import fixes
* make format
* Minor fixes
* mc
* Fix rf3 inference engine
* Fix inference sampler
* Fix modules
* Running inference
* Make format
* add pre-commit hook
* fix: RF3 inference (#670)
fix: make rf3 tests in new format
* Minor cleanup
---------
Co-authored-by: Nathaniel Corley <ncorley@uw.edu>
* Initial commit of chiral changes
Initial checkin of chiral feature code
Add chiral metric
* Update the way chiral features are incorporated into the model
Move initialization to new func
use default pytorch reset parameters
fix initialization for chirals
config
rename argument of confidence head
fix initialization for chirals
* refactor: src nest, rename rf2aa to modelhub
* refactor: initial commit without projects
* Initial commit of chiral changes
* Initial checkin of chiral feature code
* Add chiral metric
* Remove option for double residual connection. Add kq_norm oiptions to base (20250125) config.
* Restoring flag
* config
* rename argument of confidence head
* Update the way chiral features are incorporated into the model
* config
* rename argument of confidence head
* Update the way chiral features are incorporated into the model
* Initial commit of chiral changes
Initial checkin of chiral feature code
Add chiral metric
* Update the way chiral features are incorporated into the model
Move initialization to new func
use default pytorch reset parameters
fix initialization for chirals
config
rename argument of confidence head
fix initialization for chirals
* refactor: new modelhub
---------
Co-authored-by: fdimaio <dimaio@uw.edu>
Co-authored-by: HaotianZhangAI4Science <haotianzhang@zju.edu.cn>
