How to be Max: Difference between revisions
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== Covalent 3D Building == | == Covalent 3D Building == | ||
The built molecules are stored in: | The built molecules are stored in: | ||
/nfs/exk/copipeline | |||
Use this guide to run Covalent 3D Building: | Use this guide to run Covalent 3D Building: | ||
*https://wiki.docking.org/index.php?title=Covalent_Library_Preparation_2024 | *https://wiki.docking.org/index.php?title=Covalent_Library_Preparation_2024 | ||
Revision as of 21:55, 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: