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MD Analysis & Machine Learning Workshop

We are pleased to announce the MD Analysis & Machine Learning Workshop, run as part of the MGMS Early Career Workshop Initiative.

In collaboration with CCPBioSim, we are pleased to announce a 2-day hybrid (in-person/online) workshop titled “MDAnalysis and Machine Learning for Molecular Simulations” hosted by the University of Edinburgh on the 9-10th of June 2022, immediately following the 8th Annual CCPBioSim Conference.
The workshop will include both lecture and practical portions. We will cover topics including:
· The fundamentals and basics of MDAnalysis
· How to get started with machine learning and tools such as scikit-learn
· How to use MDAnalysis in conjunction with machine learning
· Applying these tools to your own research projects
The workshop is aimed at users in academia and industry who are already familiar with Python and molecular dynamics. Expert users and developers of machine learning tools and the MDAnalysis library will be present to help you during practical sessions and to answer your questions about how to integrate these tools into your workflows. We will also be holding office hours for extended tutoring – ask us for help with your own data!
The workshop is open to everyone, but places (both in-person and online) are limited.

Apply early using this Google form

The organising team is committed to diversity and inclusivity. Individuals belonging to underrepresented and marginalised groups in STEM/Software development are particularly encouraged to apply.*
*Women, non-binary, LGBTQIA+ individuals, Black, Asian and minority ethnic communities or traveller communities

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The MGMS Early Career Workshop Initiative

The MGMS is pleased to announce a call for applications to the MGMS Early Career Workshop Initiative. Applicants are invited for proposals for on-line or in-person workshops or meetings on a topic that is broadly in line with the MGMS’s overall scientific remit, please see website for details of previous meetings for a rough guide. During coronavirus pandemic we encourage virtual initiatives, but when possible, in-person events can be planned (please refer to the UK government guidance).  For more details and application form please visit The MGMS Early Career Workshop Initiative page in Conferences menu, direct link here.

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4th MGMS Frank Blaney Award: Dr Albert J Kooistra

To support postdoctoral and young independent researchers, and to remember MGMS founder member Dr Frank Blaney, the MGMS has established the MGMS Frank Blaney Award (formerly the MGMS Silver Jubilee Award). This is awarded to outstanding young researchers in the field.

We are delighted to announce that the Fourth MGMS Frank Blaney Award has been awarded to Dr. Albert J Kooistra, Dr Albert J Kooistra, an Assistant Professor at the University of Copenhagen, Denmark. Congratulations, Albert.

 

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Nominations Open: MGMS Frank Blaney Award 2021

To support postdoctoral and young independent researchers, and to remember MGMS founder member Dr Frank Blaney, the MGMS has established the MGMS Frank Blaney Award (formerly the MGMS Silver Jubilee Award). This is awarded to outstanding young researchers in the field. 

The call for 2021 nominations can be downloaded here.

The last for submitting nominations is no later than 5th November 2021.

Announcements, News

W. Graham Richards’ “A Scientific Life”

Amongst his many and significant contributions to chemistry, Graham Richards helped found the MGMS some 40 years ago. Graham recently let us know that his autobiography is now available in paperback, hardback, and Kindle format.

The cover of "A Scientific Life" by Graham Richards, depicting models of DNA and a metallic ball-and-stick model of naphthalene.
The cover of “A Scientific Life” by Graham Richards, depicting models of DNA and a metallic ball-and-stick model of naphthalene — one of the earliest ray traced images in molecular graphics. It graced the cover of the Journal of Molecular Graphics (before it became the Journal of Molecular Graphics and Modelling).

“A Scientific Life” is a great read, going from Graham’s earliest challenges like how he overcame polio as a child, and later dealt with the tragic loss of his beloved wife; to his career at Oxford, and periods working in Paris, Stanford, and Berkeley; to how he helped catalyze a dramatic shift in UK universities’ approach to their scientific discoveries and commercial opportunities; and how he helped raise £60 million to build the very impressive Chemistry Research Laboratory at the University of Oxford. Graham was instrumental in launching one of Oxford’s first start ups, Oxford Molecular, which at its peak was valued at nearly £450,000,000. Graham supervised some 58 Oxford research students (myself included), and 24 postdoctoral researchers, and hosted 21 sabbatical visitors. He is still very much active, and hasn’t quite retired. 

It is very funny in places (the poor paraplegic corgi who helped secure scientific funding made me laugh out loud…), but most of all highlights Graham’s role in how computers have transformed molecular science.

— Garrett M. Morris

Note: Graham will be giving the Keynote, ‘The Origins of the MGMS’, at the MGMS@40 Meeting on Friday, 24th September 2021.