Type: User
Company: @ATOMScience-org, @Small-Molecule-Discovery-Center UCSF
Bio: Data scientist at @ATOMconsortium and @UCSF building predictive QSAR models for ligand interactions with complex biological systems
Location: San Francisco, CA
paulsonak's Projects
2018 UCSF QB3 Hackathon Team Scutoids
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
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.
Short scripts for quantifying imaging data using ImageJ / FIJI
median_polish in python/numpy
Python implementation of J.Tukey's Median Polish algorithm for robust analysis of the data tables.
A script to run structural alerts using the RDKit and ChEMBL