Commit Graph

2 Commits

Author SHA1 Message Date
Nathaniel Corley
5a492032d5 refactor: new modelhub (#109)
* 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>
2025-04-08 13:33:17 -07:00
ncorley
719f3f8064 refactor: delete data, add makefile, environment yaml, apptainer, env 2025-02-04 21:07:15 -08:00