dptech-corp / Uni-Fold

An open-source platform for developing protein models beyond AlphaFold.
https://doi.org/10.1101/2022.08.04.502811
Apache License 2.0
376 stars 74 forks source link

PoC: Better reordering #129

Open hypnopump opened 1 year ago

hypnopump commented 1 year ago

WIP: training working has been confirmed, but still to prove it improves training dynamics.

The core algorithm is tested in this Bohrium notebook using as input the 12-homomer PDB: 7SYA and the 4,4,4-heteromer PDB: 4F4O.

For best outcomes, use unifold_notebook:v2 image and >= c8_m16 CPU instance.

The equation formulation for the XX_FAPE:

Captura de Pantalla 2023-09-25 a las 18 16 28