Blog - The Cambridge Crystallographic Data Centre (CCDC)

Getting the most from your academic CSD licence

Yinka Olatunji-Ojo – Mon, 07 Jun 2021 20:46:00 GMT

Are you the campus CSD-Enterprise licence owner? Do you want to know more about how the CSD academic licence works? Then this overview of academic licencing and tools is for you. I’m a user support scientist. In this short blog and accompanying video, I walk through how to activate and use your CSD licence and how to assist individual users with their activations. In the second half, I cover training and support opportunities – including tutorials available within the tools and those available online – to help you advance your institution's structural science.

CSD Pipeline Pilot protocols – custom analysis without coding

Francis Atkinson – Wed, 29 Apr 2020 10:40:00 GMT

One of the major developments in the 2020.1 CSD Release is the addition of the CSD Pipeline Pilot component collection, which will allow you to build custom tools for analysing CSD structural data without writing code.

As well as allowing research to be done faster and more efficiently, this should remove barriers to entry and allow more people to create custom analyses.

Molecular Descriptors - key for machine learning in chemistry

Peter Wood – Wed, 29 Apr 2020 09:10:00 GMT

Machine learning is a fast growing area of active research within structural science and it is particularly effective in the crystallographic structural sciences due to the wealth of highly accurate structural data available. A key part of machine learning though is having effective molecular descriptors to represent complex chemical information about molecules and structures into easily machine-interpretable vectors of numbers to feed into machine learning algorithms.

New for 2020.1 release - aromatics analyser in Mercury

Ioana Sovago – Wed, 29 Apr 2020 08:19:00 GMT

We live in exciting times for Artificial Intelligence (AI) - with the rise of new and easy to implement Machine Learning (ML) algorithms. Many of us would sooner trust a GPS to take us from point A to point B than consult a map ourselves, and robots are already being used to perform medical procedures. But what do all of these advanced techniques and algorithms mean for us as scientists and how can we use them to advance science? Presumably, many would ask if AI approaches can help, or even replace scientific experiments?

Blog Release 2020.1

Getting the most from your academic CSD licence

CSD Pipeline Pilot protocols – custom analysis without coding

Molecular Descriptors - key for machine learning in chemistry

New for 2020.1 release - aromatics analyser in Mercury

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