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iqb-2025
Lnaden/iqb-2025
Jupyter Notebook
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4
Last push
14mo ago
Recent commits
Latest commits.
Merge branch 'main' of github.com:Lnaden/iqb-2025
1171ee7
Levi Naden
14mo ago
add protein and ligand in case we break rcsb
ed1092e
Levi Naden
14mo ago
Finalized notebook for molecule preparation.
89fca77
Levi Naden
14mo ago
adding sample compounds for the scrubbing
43cf0f4
Levi Naden
14mo ago
Merge pull request #18 from MolSSI-Education/pat
1dc37ac
Patrick Walters
14mo ago
Finish the ligand section, added Scrubber (molscrub) sections and RDKit tautomer enumeration.
dd11765
Levi Naden
14mo ago
added slides
876bca6
Patrick Walters
14mo ago
docking documentation update
6ce8f80
Jessica A. Nash
14mo ago
Top contributors
Builders behind this project.
janash
31 commits
paulcraig
30 commits
Lnaden
22 commits
PatWalters
14 commits
