adalke Goto Github PK
Name: Andrew Dalke
Type: User
Andrew Dalke's Projects
apsw
Another Python SQLite wrapper
biopython
Official git repository for Biopython (converted from CVS)
cinfony
Simplified and standard interface to a number of cheminformatics toolkits
documentation
Sphinx-based documentation for the Open Babel project
documents
Published documents, Jupyter notebooks, and the like.
fpsim2
Simple package for fast molecular similarity searches
mmpdb
A package to identify matched molecular pairs and use them to predict property changes.
numpy
Numpy main repository
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
rdkit
The official sources for the RDKit library
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