Amanda P's repositories
AMPL
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
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median_polish
median_polish in python/numpy
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MedianPolish
Python implementation of J.Tukey's Median Polish algorithm for robust analysis of the data tables.
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rd_filters
A script to run structural alerts using the RDKit and ChEMBL
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