Data Science made easier!

This time around you won’t see any source code. Sorry about that, next time maybe.

Here I’ll talk more about sometimes overlooked aspects when developing applications for R&D in life sciences. So I guess this post might be useful to our competitors or people developing applications within large corporations in the life science & pharma industry … anyway ;)

I’ll take the example of our current 3decision developments. You might have heard or read about 3decision already before. If not, check it out - 3decision .. it’s super cool!

Discngine celebrates its 15 years anniversary this month!
On this occasion, we gathered 150+ people in our Parisian office last June. Get a glimpse of the event in this article!

I love MOE, it’s a great piece of software, but unfortunately it’s not free and now that I’m nor in academia, nor in a pharma company I find myself unable to further develop an approach I implemented in the past which is kind of frustrating to put it politely. The same goes for Amber.
So I started to look for alternatives, also under a gentle demand from Anthony (poking me regularly) who wanted to apply the whole approach in his fragment screening pipeline. That’s in the scope of the crazy impressive XChem project. If you haven’t heard / read about that check it out - it gives you a bit of an insight on what will be possible very near future in xray crystallography!

I think that’s my first RDKit post! So reason to celebrate!

Here' I’ll focus on a very nice feature available in Open Source Software and very useful in daily structure based but even ligand based drug design tasks.

The problem

How can I dock small molecules into a receptor and avoid as much as possible the “what is the right pose” problem?

A brief walkthrough on how to compile the molfile plugin for VMD in order to use it for programming and integrating into your own code.

Discngine and AbbVie received BioIT World’s prestigious award Innovative Practices for the co-development of 3decision!

When it comes to validate your dispensing operations by looking at the average volume and the CV, you are not sure if invalidating wells is a good practice or not?

The well known Servier Research Institute chose Discngine Qualification to qualify its Automated Liquid Handling Systems.