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OpenDAS
OpenFold
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0f1b1968
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0f1b1968
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Oct 08, 2021
by
Gustaf Ahdritz
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A faithful PyTorch reproduction of DeepMind's
[
AlphaFold 2
](
https://github.com/deepmind/alphafold
)
.
## Features
OpenFold carefully reproduces (almost) all of the features of the original open
source inference code. The sole exception is model ensembling, which fared
poorly in DeepMind's own ablation testing and is being phased out in future
DeepMind experiments. It is omitted here for the sake of reducing clutter. In
cases where the Nature paper differs from the source, we always defer to the
latter.
Unlike DeepMind's public code, OpenFold is also trainable. It can be trained
with or without
[
DeepSpeed
](
https://github.com/microsoft/deepspeed
)
and with
mixed precision. bfloat16 training is not currently supported, but will be
soon.
## Installation
Python dependencies available through
`pip`
are provided in
`requirements.txt`
.
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source
scripts/deactivate_conda_venv.sh
```
##
Features
##
Usage
OpenFold supports all features of the original AlphaFold required for inference
with the sole exception of model ensembling, which fared poorly in DeepMind's
ablation testing. It is even capable of importing AlphaFold's original
pretrained model parameters.
To run inference on a sequence using a set of DeepMind's pretrained parameters,
run e.g.
Future versions will support multi-GPU training with
[
DeepSpeed
](
https://github.com/microsoft/DeepSpeed
)
.
```
bash
python3 run_pretrained_alphafold.py
--device
cuda:1
--model
model_1_ptm
```
## Copyright notice
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