Official containers for RosettaCommons RFdiffusion protocol
7.7K
RFdiffusion is fully open-source under a BSD License whose full text can be found here.
Please note that this image is not compatible with systems using the ARM architecture.
docker run -it --rm \
-v /path/to/your/input_dir:/input \
-v absolute/path/to/your/output_dir:/output \
rosettacommons/rfdiffusion \
inference.output_prefix=/output/motifscaffolding \
inference.model_directory_path=/app/RFdiffusion/models \
inference.input_pdb=/input/5TPN.pdb \
inference.num_designs=3 \
contigmap.contigs='[10-40/A163-181/10-40]'
The instructions below use Apptainer, but the same commands will work with Singularity.
To run the image using Apptainer you need to pull it using
apptainer pull rfd.sif docker://rosettacommons/rfdiffusion
Then you can use it very similarly to the Docker example above:
apptainer run --nv \
rfd.sif \
inference.output_prefix=/path/to/your/output_dir/motifscaffolding \
inference.model_directory_path=/app/RFdiffusion/models \
inference.schedule_directory_path=schedules \
inference.input_pdb=/path/to/your/input_dir/5TPN.pdb \
inference.num_designs=3 \
contigmap.contigs='[10-40/A163-181/10-40]'
Please contact us with any questions, feedback, or issues you have concerning these containers here.
Content type
Image
Digest
sha256:b88dc5d7c…
Size
7.6 GB
Last updated
about 1 year ago
docker pull rosettacommons/rfdiffusion