blind docking of potential SIRT3-interacting candidates using equibind and diffdock
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niklastrsirt3's Issues
Need to Add Secrets for AutoSync
AutoSync should also exclude certain files from the gihub due to size, ie ignore the data folder containing the PDBBind Data set or another large run of stuff
Secrets for AWS keys to enable autosync
create github action to build docker container for diffdock and push to GHCR
remove superflous files from repo before publishing
contribute docking figure for Figure 1H on SIRT3 project paper
Change File Output In Configs to Fit Project Structure
Raw PBDBind in Raw
PDBBind_Processed in External
Aligned Sample Folders in Interim
Predicted results in Processed
Plus add analysis and evaluation structure to project dirs
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