Explore
Home 
Literature 
Links 
Posts 
Molecules 
Blogs 
Zeitgeist 
Markup Help 
News 

Most recent posts

If youve ever tried to do anything with data provided to you in PDFs, you know how painful it is there’s no easy way to copy-and-paste rows of data out of PDF files. Today we discovered a great open source tool called Tabula that allows you to extract...
molPX is an Ipython module that provides, within a Jupyter notebook, interactive molecular visualization of virtually any type of coordinate that a molecular dynamics (MD) trajectory has been projected to. From the more intuitive coordinates, such as distances,...
ELN is an Electronic Lab Notebook for scientists of all stripes ELN is great for: taking notes during experiments since it automatically saves your input every 10 seconds so that your notes will never be lost; keeping track of data analysis results since screen...

Most popular posts

This news comes by way of John Parkhill, my new colleague here at Notre Dame.William G. Hoover (of the Nos-Hoover Thermostat) and Carol G. Hoover issued a $500 challenge on arXiv to generate a time-reversible random number generator. This itself would be quite...
Today marks (roughly) the tenth birthday of a fantastically successful open science project called the Chemical Development Kit (CDK). At the time the skeleton of the project was set down on my office whiteboard, I was still the lead developer of Jmol, and...
If youve ever tried to do anything with data provided to you in PDFs, you know how painful it is there’s no easy way to copy-and-paste rows of data out of PDF files. Today we discovered a great open source tool called Tabula that allows you to extract...

Latest posts linking here

Federico Ricci-Tersenghi arXiv:1305.1805Contributed by Dan GezelterReposted from The OpenScience Project with permissionWilliam G. Hoover (of the Nos-Hoover Thermostat) and Carol G. Hoover issued a $500 challenge on arXiv to generate a time-reversible...
Sometimes you make decisions which turn out unlucky. Christoph, Dan, and I made one about 10 years ago (see this photo from Dan with his whiteboard where we wrote down our thoughts). The one I am talking about is not bad in itself, but the implementation...