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fragments_to_leadlikes
JenkeScheen/fragments_to_leadlikes
Jupyter Notebook
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Last push
15mo ago
Recent commits
Latest commits.
reduce chain A/B duplication matching
0fa4d61
Jenke Scheen
15mo ago
swap RMSD methods and apply
7bd1625
Jenke Scheen
15mo ago
add dataset of negatives
6b83936
Jenke Scheen
20mo ago
add connections analysis
a51416d
Jenke Scheen
20mo ago
two new targets in same format
66d50d4
Jenke Scheen
23mo ago
hmm, no fragment matches for ns2b3. maybe a fuzzy match?
33fb898
Jenke Scheen
23mo ago
more leadlikes for ns2b3!
c045f01
Jenke Scheen
23mo ago
add mac1 links from frags to leadlikes
3d94888
Jenke Scheen
23mo ago
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JenkeScheen
12 commits
