Skip to content

v0.3.0 — sequence-only product release

Choose a tag to compare

View all tags
@krisss0mecom krisss0mecom released this 01 May 17:00
· 20 commits to main since this release
v0.3.0
45a1232

First pip-installable release of AlphaDynamics. Provides a transferable sequence-only neural propagator for protein torsion dynamics, alongside the per-system v2 paper code preserved in src/.

Headline (sequence-only, transferable):
Mean canonical Ramachandran JSD 0.196 vs Microsoft Timewarp 0.468 on the 4AA benchmark (2.39x lower, 3/3 peptide wins) at ~123K parameters total (3000x fewer than Timewarp 396M).

Quickstart:
pip install alphadynamics
alphadynamics predict --sequence AAAY --n-ensemble 16 --output traj.npz

Created by Krzysztof Gwozdz. Apache-2.0 licensed gift to the protein-dynamics community.

Weights bundled with this release:

  • ad_transfer_v2_clean_best.pt — phase-flow ODE propagator (~78K params)
  • ad_init_full_1477_best.pt — von Mises mixture prior (~45K params)
Assets 4
Loading