Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in / Register
Toggle navigation
Menu
Open sidebar
OpenDAS
OpenFold
Commits
1bc68426
Commit
1bc68426
authored
Sep 22, 2021
by
Gustaf Ahdritz
Browse files
Update documentation again
parent
448303eb
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
11 additions
and
12 deletions
+11
-12
README.md
README.md
+11
-12
No files found.
README.md
View file @
1bc68426
...
@@ -5,21 +5,18 @@ A faithful PyTorch reproduction of DeepMind's
...
@@ -5,21 +5,18 @@ A faithful PyTorch reproduction of DeepMind's
## Installation
## Installation
1.
Having installed Python 3.9, install dependencies.
Python dependencies available through
`pip`
are provided in
`requirements.txt`
.
OpenFold also depends on
`openmm==7.5.1`
and
`pdbfixer`
, which are only
available via
`conda`
.
```
bash
For convenience, we provide a script that installs Miniconda locally, creates a
pip3
install
-r
requirements.txt
`conda`
virtual environment, and installs all Python dependencies. Run:
```
2.
Install third-party dependencies with:
```
bash
```
bash
scripts/install_third_party_dependencies.sh
scripts/install_third_party_dependencies.sh
```
```
This script installs Miniconda locally and creates a conda virtual environment
To activate the environment, run:
with all of the packages required to run Openfold. To activate the environment,
run:
```
bash
```
bash
scripts/activate_conda_venv.sh
scripts/activate_conda_venv.sh
...
@@ -33,9 +30,11 @@ scripts/deactivate_conda_venv.sh
...
@@ -33,9 +30,11 @@ scripts/deactivate_conda_venv.sh
## Features
## Features
OpenFold fully reproduces AlphaFold's inference and data processing pipelines,
OpenFold reproduces AlphaFold's inference and data processing pipelines. With
but is written entirely in PyTorch rather than JAX/TensorFlow. It is capable of
the exception of model ensembling, which fared poorly in DeepMind's ablation
importing AlphaFold's original pretrained weights.
testing and is therefore omitted here, OpenFold supports all features of the
original required for inference. It is even capable of importing AlphaFold's
original pretrained weights.
Future versions will support multi-GPU training with
Future versions will support multi-GPU training with
[
DeepSpeed
](
https://github.com/microsoft/DeepSpeed
)
.
[
DeepSpeed
](
https://github.com/microsoft/DeepSpeed
)
.
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment