[BlueObelisk-discuss] Blueobelisk QA at shapado

2010-04-20 Thread Noel O'Boyle
Hello all, I want to bring the new BlueObelisk QA site to the attention of the members of this list: http://blueobelisk.shapado.com/ Please help answer questions such as: (1) What skills/background is necessary to contribute to open source chemistry software? (2) Open Data for mass spectrometry?

Re: [BlueObelisk-discuss] Blueobelisk QA at shapado

2010-04-20 Thread Egon Willighagen
Hi Noel, On Tue, Apr 20, 2010 at 10:13 AM, Noel O'Boyle baoille...@gmail.com wrote: I want to bring the new BlueObelisk QA site to the attention of the members of this list: http://blueobelisk.shapado.com/ Please help answer questions such as: (1) What skills/background is necessary to

[BlueObelisk-discuss] SMARTS substructure search benchmark set

2010-04-20 Thread H.-Christian Ehrlich
Hello everybody, my name is Christian and I am new to the list. I am currently working on a SMARTS-based substructure search tool and I am looking for a more or less standard benchmark set. I am thankful for any kind of input. Christian --- H.-Christian Ehrlich Zentrum für Bioinformatik,