Commit f38f346d authored by Gustaf Ahdritz's avatar Gustaf Ahdritz
Browse files

Add another recommendation to README

parent 143ba486
......@@ -171,7 +171,7 @@ run inference with AlphaFold-Multimer, use the (experimental) `multimer` branch
instead.
To minimize memory usage during inference on long sequences, consider the
following options:
following changes:
- As noted in the AlphaFold-Multimer paper, the AlphaFold/OpenFold template
stack is a major memory bottleneck for inference on long sequences. OpenFold
......@@ -194,13 +194,15 @@ These represent a favorable tradeoff in most memory-constrained cases.
Powerusers can choose to tweak these settings in
`openfold/model/primitives.py`. For more information on the LMA algorithm,
see the aforementioned Staats & Rabe preprint.
- Disable `tune_chunk_size` for long sequences. Past a certain point, it only
wastes time.
- As a last resort, consider enabling `offload_inference`. This enables more
extensive CPU offloading at various bottlenecks throughout the model.
With all of these enabled, we were able to run inference on a 4600-residue
complex with a single A100. Compared to AlphaFold's own memory offloading mode,
ours is considerably faster: the same complex took the more efficent
AlphaFold-Multimer more than double the time.
Using the most conservative settings, we were able to run inference on a
4600-residue complex with a single A100. Compared to AlphaFold's own memory
offloading mode, ours is considerably faster: the same complex takes the more
efficent AlphaFold-Multimer more than double the time.
### Training
......
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