omic/rosettafold-all-atom
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Initial commit: RoseTTAFold-All-Atom configured for Wes with Harbor images and s3:// paths

Browse Source
This commit is contained in:
Olamide Isreal
2026-03-17 17:57:24 +01:00
commit 6eef3bb748
108 changed files with 28144 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
examples/docker/dockerrun.sh Normal file
View File

@@ -0,0 +1,4 @@
docker run --gpus all -v `pwd`:/workdir/ -v $your_database_path/UniRef30_2020_06/:/mnt/databases/rfaa/latest/UniRef30_2020_06b/ -v $your_database_path/bfd/:/mnt/databases/rfaa/latest/bfd/ -v $your_database_path/pdb100_2021Mar03/:/pdb100_2021Mar03/ -v $your_weights_path/weights/RFAA_paper_weights.pt:/weights/RFAA_paper_weights.pt $your_dockerimage_name python -m rf2aa.run_inference -cd /workdir/ --config-name docker
#your_database_path: path to the respective databases. See the readme for download instructions
#your_weights_path: path to the weights file. See the readme for download instructions
#your_dockerimage_name: name of the docker image you built. The command to build the image with a given tag is `docker build -t $your_dockerimage_name .` run from the main directory where the Dockerfile is located