David Koes

icon indicating a website link http://bits.csb.pitt.edu

icon company University of Pittsburgh icon location Pittsburgh icon location Removing barriers to computational drug discovery one bit at a time.

Results 8 repositories owned by David Koes

md-scripts

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A collections of scripts for working molecular dynamics simulations

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qsar-tools

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Scripts for assisting in modeling quantitative structure activity relationships from 2D chemical data

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rdkit-scripts

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A collection of cheminformatics scripts that use rdkit

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conformer_analysis

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Open-Source-Molecular-Modelling

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pharmit

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Open-source online virtual screening tools for large databases

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shapedb

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show_contacts

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PyMOL Plugin for displaying polar contacts

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