adalke

Pinned Repositories

apsw
Another Python SQLite wrapper
Language:C0 2 00
biopython
Official git repository for Biopython (converted from CVS)
Language:Python00
cinfony
Simplified and standard interface to a number of cheminformatics toolkits
Language:Python0 1 00
documentation
Sphinx-based documentation for the Open Babel project
Language:Python00
documents
Published documents, Jupyter notebooks, and the like.
Language:Jupyter Notebook00
FPSim2
Simple package for fast molecular similarity searches
Language:Python00
mmpdb
A package to identify matched molecular pairs and use them to predict property changes.
Language:Python24 4 02
numpy
Numpy main repository
Language:C0 2 00
openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++00
rdkit
The official sources for the RDKit library
Language:C++0 2 00

adalke's Repositories

adalke/mmpdb
A package to identify matched molecular pairs and use them to predict property changes.
Language:Python24 4 02
adalke/apsw
Another Python SQLite wrapper
Language:C0 2 00
adalke/biopython
Official git repository for Biopython (converted from CVS)
Language:Python00
adalke/cinfony
Simplified and standard interface to a number of cheminformatics toolkits
Language:Python0 1 00
adalke/documentation
Sphinx-based documentation for the Open Babel project
Language:Python00
adalke/documents
Published documents, Jupyter notebooks, and the like.
Language:Jupyter Notebook00
adalke/FPSim2
Simple package for fast molecular similarity searches
Language:Python00
adalke/numpy
Numpy main repository
Language:C0 2 00
adalke/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
Language:C++00
adalke/rdkit
The official sources for the RDKit library
Language:C++0 2 00