Pinned Repositories
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
adalke's Repositories
adalke/mmpdb
A package to identify matched molecular pairs and use them to predict property changes.
adalke/apsw
Another Python SQLite wrapper
adalke/biopython
Official git repository for Biopython (converted from CVS)
adalke/cinfony
Simplified and standard interface to a number of cheminformatics toolkits
adalke/documentation
Sphinx-based documentation for the Open Babel project
adalke/documents
Published documents, Jupyter notebooks, and the like.
adalke/FPSim2
Simple package for fast molecular similarity searches
adalke/numpy
Numpy main repository
adalke/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
adalke/rdkit
The official sources for the RDKit library