@@ -48,37 +48,17 @@ and one of {`jackhmmer`, [MMseqs2](https://github.com/soedinglab/mmseqs2) (night
...
@@ -48,37 +48,17 @@ and one of {`jackhmmer`, [MMseqs2](https://github.com/soedinglab/mmseqs2) (night
installed on on your system. You'll need `git-lfs` to download OpenFold parameters.
installed on on your system. You'll need `git-lfs` to download OpenFold parameters.
Finally, some download scripts require `aria2c` and `aws`.
Finally, some download scripts require `aria2c` and `aws`.
For convenience, we provide a script that installs Miniconda locally, creates a
This package is currently supported for CUDA 11 and Pytorch 1.12
`conda` virtual environment, installs all Python dependencies, and downloads
useful resources, including both sets of model parameters. Run:
```bash
To install:
scripts/install_third_party_dependencies.sh
1. Clone the repository, e.g. `git clone https://github.com/aqlaboratory/openfold.git`
```
1. From the `openfold` repo:
- Create an [Anaconda/Mamba](https://docs.anaconda.com/free/anaconda/install/index.html) environment, e.g. `conda env create -n openfold_env`
To activate the environment, run:
- Activate the environment, e.g `conda activate openfold_env`
1. Run `scripts/install_third_party_dependencies.sh` to configure kernels and folding resources.
```bash
source scripts/activate_conda_env.sh
```
To deactivate it, run:
```bash
source scripts/deactivate_conda_env.sh
```
With the environment active, compile OpenFold's CUDA kernels with
```bash
python3 setup.py install
```
To installthe HH-suite to `/usr/bin`, run
For some systems, it may help to append the Conda environment library path to `$LD_LIBRARY_PATH`. The `install_third_party_dependencies.sh` script does this once, but you may need this for each bash instance.