paulsonak
Data scientist at @ATOMconsortium and @UCSF building predictive QSAR models for ligand interactions with complex biological systems
@ATOMScience-org, @Small-Molecule-Discovery-Center UCSFSan Francisco, CA
Pinned Repositories
2018_hackathon_scutoids
2018 UCSF QB3 Hackathon Team Scutoids
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.
ampl_berkeley
bokeh_django
cell-segmentation
cell_classification
CompTox-ToxCast-tcpl
dimorphite_dl
Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, accessible, and modular open-source program for enumerating small-molecule ionization states.
html_tests
ice-vouchers
paulsonak's Repositories
paulsonak/cell-segmentation
paulsonak/2018_hackathon_scutoids
2018 UCSF QB3 Hackathon Team Scutoids
paulsonak/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.
paulsonak/ampl_berkeley
paulsonak/bokeh_django
paulsonak/cell_classification
paulsonak/CompTox-ToxCast-tcpl
paulsonak/dimorphite_dl
Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, accessible, and modular open-source program for enumerating small-molecule ionization states.
paulsonak/html_tests
paulsonak/ice-vouchers
paulsonak/median_polish
median_polish in python/numpy
paulsonak/MedianPolish
Python implementation of J.Tukey's Median Polish algorithm for robust analysis of the data tables.
paulsonak/rd_filters
A script to run structural alerts using the RDKit and ChEMBL
paulsonak/image_processing_scripts
Short scripts for quantifying imaging data using ImageJ / FIJI
paulsonak/Matlab-example
paulsonak/ML-class-projects
paulsonak/R-example