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TJ O'Donnell's Projects

fragments icon fragments

create breadth-first search smarts molecular fragments usable as modeling descriptors

gmol icon gmol

gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL (gramps) and web browser widgets that enable flexible user interfaces.

obchord icon obchord

PostgreSQL extension for Chemical Objects in a Relational Database (CHORD) using openbabel

rdchord icon rdchord

PostgreSQL extension for Chemical Objects in a Relational Database (CHORD) using rdkit

umdb icon umdb

Unified/Universal molecular structure file

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