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mmpdb Public
Forked from rdkit/mmpdbA package to identify matched molecular pairs and use them to predict property changes.
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documents Public
Published documents, Jupyter notebooks, and the like.
Jupyter Notebook UpdatedOct 5, 2021 -
FPSim2 Public
Forked from chembl/FPSim2Simple package for fast molecular similarity searches
Python MIT License UpdatedAug 3, 2020 -
cinfony Public
Forked from cinfony/cinfonySimplified and standard interface to a number of cheminformatics toolkits
Python BSD 2-Clause "Simplified" License UpdatedOct 31, 2019 -
openbabel Public
Forked from openbabel/openbabelOpen Babel is a chemical toolbox designed to speak the many languages of chemical data.
C++ GNU General Public License v2.0 UpdatedJan 18, 2019 -
biopython Public
Forked from biopython/biopythonOfficial git repository for Biopython (converted from CVS)
Python Other UpdatedMar 4, 2017 -
documentation Public
Forked from openbabel/documentationSphinx-based documentation for the Open Babel project
Python UpdatedSep 27, 2016 -
rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
C++ Other UpdatedAug 20, 2016 -
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numpy Public
Forked from numpy/numpyNumpy main repository
C BSD 3-Clause "New" or "Revised" License UpdatedAug 17, 2013
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