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PoC: Better reordering #129

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@hypnopump hypnopump commented Aug 30, 2023

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

unifold/losses/chain_align.py Outdated Show resolved Hide resolved
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