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== FE and Chemistry Commons == | == FE and Chemistry Commons == | ||
This is the directory in which all of Fe is located: | This is the directory in which all of Fe is located: | ||
/nfs/exj/Fe | |||
Check out the ReadMe file for further details | Check out the ReadMe file for further details | ||
== Enumeration == | == Enumeration == | ||
Revision as of 21:54, 15 July 2025
FE and Chemistry Commons
This is the directory in which all of Fe is located:
/nfs/exj/Fe
Check out the ReadMe file for further details
Enumeration
Look at the Google Docs guide for details about how to run Enumeration:
Look at the Google Sheets for details about previously run enumerations:
AB3
- ssh epyc
Important commands
- sudo docker restart redis
- sudo docker restart ab3
- sudo docker container ls
- sudo docker logs --since 30m ab3
Chemistry Commons
- To restart, rerun the runner on gitlab.docking.org
Ongoing bugs:
- AB3 data send failure.
ZINC20 Loading
Covalent 3D Building
The built molecules are stored in:
- /nfs/exk/copipeline
Use this guide to run Covalent 3D Building: