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May the best drug discovery tutorial win - http://baoilleach.blogspot.com/2013...
Summary slides should be summarily skipped - http://baoilleach.blogspot.com/2013...
QM up for testing - The Quantum Chemistry Speed Test - http://baoilleach.blogspot.com/2013...
2nd RDKit UGM gives rise to Fortran bindings - http://baoilleach.blogspot.com/2013...
2nd RDKit UGM gives rise to Fortran bindings
Unavailable by request - Do you have to ask? - http://baoilleach.blogspot.com/2013...
Poll answer: Time for Python 3? - http://baoilleach.blogspot.com/2013...
ASCII depiction for Accelrys Draw - http://baoilleach.blogspot.com/2013...
ASCII depiction for Accelrys Draw
Conference etiquette - Don't mention the ----! - http://baoilleach.blogspot.com/2013...
Poll question: Time for Python 3? - http://baoilleach.blogspot.com/2013...
A new home for Linux4Chemistry - Part II - http://baoilleach.blogspot.com/2013...
A new home for Linux4Chemistry - Part II
Cheminformatics in Science Fiction - http://baoilleach.blogspot.com/2013...
Using Open Babel to package chemistry software - http://baoilleach.blogspot.com/2013...
Least Publishable Unit #3: Novel Approach to Pharmacophore Discovery - http://baoilleach.blogspot.com/2013...
(Almost) Translate the InChI code into JavaScript Part IV - http://baoilleach.blogspot.com/2013...
Are you a Google Reader reader? - http://baoilleach.blogspot.com/2013...
Using CTest with multiple tests in a single executable - http://baoilleach.blogspot.com/2013...
More (and more) Open Source cheminformatics tookits - http://baoilleach.blogspot.com/2013...
One java toolkit, but it uses a lot of JNI... the actual Java code is very specific... - Egon Willighagen
Least Publishable Unit #2: Find corresponding Raman peaks for deuterated species - http://baoilleach.blogspot.com/2013...
Least Publishable Unit #2: Find corresponding Raman peaks for deuterated species
Least Publishable Unit: Selective GPCR Agonists - http://baoilleach.blogspot.com/2013...
How fast is chemfp? We investigate! - http://baoilleach.blogspot.com/2013...
Talk on Universal SMILES at New Orleans ACS - http://baoilleach.blogspot.com/2013...
Universal Smiles: Finally a canonical SMILES string - http://www.slideshare.net/baoille...
Universal Smiles: Finally a canonical SMILES string
Talk on Open Babel at New Orleans ACS - http://baoilleach.blogspot.com/2013...
What's New and Cooking in Open Babel 2.3.2 - http://www.slideshare.net/baoille...
What's New and Cooking in Open Babel 2.3.2
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