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Author:
Himaghna Bhattacharjee, Jackson Burns
License:
MIT
Summary:
Core AIMSim molecular featurization and comparison utilities.
Latest version:
2.2.3
Required dependencies:
mhfp
|
mordredcommunity
|
multiprocess
|
numpy
|
padelpy
|
pandas
|
psutil
|
rdkit
|
scikit-learn
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