How to be Max: Difference between revisions

Revision as of 21:31, 15 July 2025

This is the directory in which all of Fe is located:

Check out the ReadMe file for further details

Look at the Google Docs guide for details about how to run Enumeration:

Look at the Google Sheets for details about previously run enumerations:

Important commands

Ongoing bugs:

The built molecules are stored in:

Use this guide to run Covalent 3D Building:

@@ Line 4: / Line 4: @@
 Check out the ReadMe file for further details
 == Enumeration ==
-Look at the google docs guide for details about Enumeration:
+Look at the Google Docs guide for details about how to run Enumeration:
 * https://docs.google.com/document/d/1b5BvlcbFbhpbc3ZJQ3ehd1ussrMTcd2UyMEk7yXi58I/edit?usp=sharing
+Look at the Google Sheets for details about previously run enumerations:
+*https://docs.google.com/spreadsheets/d/1MYvCNoIxxluvPR1J7eVogw68ESWIoCRMYSvWh9FnFwc/edit?gid=1892642148#gid=1892642148
 == AB3 ==
@@ Line 16: / Line 17: @@
 * 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 ==
@@ Line 21: / Line 27: @@
 == Covalent 3D Building ==
+The built molecules are stored in:
 * /nfs/exk/copipeline
+Use this guide to run Covalent 3D Building:
+*https://wiki.docking.org/index.php?title=Covalent_Library_Preparation_2024