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kyogesh/afsample2

By kyogesh

•Updated over 1 year ago

Predicting multiple conformations and ensembles with AlphaFold2

Image
Machine learning & AI
Data science
0

752

kyogesh/afsample2 repository overview

⁠Docker
docker run --volume <path-to-databases>:/databases \
           --volume <path-to-inputs>:/inputs \
           --volume <path-to-outputs>:/outputs \
           -it kyogesh/afsample2:mark8 \
           --method afsample2     \
           --fasta_paths inputs/example.fasta     \
           --flagfile inputs/flagfile.flag     \
           --nstruct 4     \
           --msa_rand_fraction 0.20     \
           --model_preset=monomer     \
           --output_dir examples/
⁠Apptainer
apptainer run --nv -B <path-to-databases>:/databases \
            -B <path-to-inputs>:/input \
            -B <path-to-outputs>:/output \
            <path-to-sif-image> \  \
            --method afsample2 \
            --fasta_paths inputs/example.fasta \
            --flagfile inputs/flagfile.flag \
            --nstruct 1 \
            --msa_rand_fraction 0.20 \
            --model_preset=monomer \
            --output_dir /output \

Tag summary

Content type

Image

Digest

sha256:731a6d4d0…

Size

6 GB

Last updated

over 1 year ago

docker pull kyogesh/afsample2:v1.1