baoilleach documents

Cinfony - Combining disparate cheminformatics resources into a single toolkit
Technology Cinfony - Combining disparate cheminformatics resources into a single toolkit
My Open Access papers
Education My Open Access papers
Computational Drug Design
Education Computational Drug Design
Cheminformatics II
Education Cheminformatics II
Cheminformatics
Technology Cheminformatics
Python for Chemistry
Education Python for Chemistry
Chemistrify the Web
Documents Chemistrify the Web
Making the most of a QM calculation
Education Making the most of a QM calculation
Cinfony - Bring cheminformatics toolkits into tune
Education Cinfony - Bring cheminformatics toolkits into tune
Improving the quality of chemical databases with community-developed tools (and vice versa)
Technology Improving the quality of chemical databases with community-developed tools (and vice versa)
Universal Smiles: Finally a canonical SMILES string
Education Universal Smiles: Finally a canonical SMILES string
Protein-ligand docking
Education Protein-ligand docking
cclib - parsers and algorithms for computational chemistry
Education cclib - parsers and algorithms for computational chemistry
Chemistry and the Internet
Education Chemistry and the Internet
Quantum Chemistry III
Documents Quantum Chemistry III
Quantum Chemistry
Education Quantum Chemistry
What's New and Cooking in Open Babel 2.3.2
Education What's New and Cooking in Open Babel 2.3.2
QM at Cambridge Crystallographic Data Centre (CCDC)
Technology QM at Cambridge Crystallographic Data Centre (CCDC)
Large-scale computational design and selection of polymers for solar cells
Education Large-scale computational design and selection of polymers for solar cells
Towards Practical Molecular Devices: the Incorporation of a Solid Substrate as an Active Component in Molecular Assemblies
Documents Towards Practical Molecular Devices: the Incorporation of a Solid Substrate as an Active Component in Molecular Assemblies
Density functional theory calculations on Ruthenium polypyridyl complexes incorporating 1,2,4-triazole
Education Density functional theory calculations on Ruthenium polypyridyl complexes incorporating 1,2,4-triazole