Open Chemistry (@openchem) 's Twitter Profile
Open Chemistry

@openchem

Open chemistry - source code, data, workflows, everything!

ID: 2533383738

linkhttps://openchemistry.org/ calendar_today29-05-2014 20:59:40

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Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

Ethanol molecular orbital, with simultaneous isosurface and volume rendering in Avogadro Project 2 using VTK as part of Open Chemistry development work. Still pretty rough, but this #OpenSource development is coming to desktop and web (with Project Jupyter integration too)! #OpenScience

Ethanol molecular orbital, with simultaneous isosurface and volume rendering in <a href="/AvogadroChem/">Avogadro Project</a> 2 using VTK as part of <a href="/OpenChem/">Open Chemistry</a> development work. Still pretty rough, but this #OpenSource development is coming to desktop and web (with <a href="/ProjectJupyter/">Project Jupyter</a> integration too)! #OpenScience
Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

See Chris Harris talk about Open Chemistry in Project Jupyter at 11:55am in Nassau at #JupyterCon, "Reproducible quantum chemistry in Jupyter". HPC, quantum chemistry, visualization in an #OpenSource plaform for #reproducible #OpenScience! We have stickers too!

See Chris Harris talk about <a href="/OpenChem/">Open Chemistry</a> in <a href="/ProjectJupyter/">Project Jupyter</a> at 11:55am in Nassau at #JupyterCon, "Reproducible quantum chemistry in Jupyter". HPC, quantum chemistry, visualization in an #OpenSource plaform for #reproducible #OpenScience! We have stickers too!
Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

Check out Avogadro 1.91, just released with many updates from the @gsoc this year (MD, animations), as well as plots, new input generators, and much, much more just before our first user meeting in Pittsburgh, PA this weekend! openchemistry.org/downloads/ Open Chemistry Avogadro Project

Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

Some recent development in Avogadro, where you can see an in application render window using VTK for isosurface and volume rendering of a molecular orbital for ethanol. Still some clean up needed, but it should make our next release! youtu.be/mQ6iGz47QC8

Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

At the #gsoc Mentor Summit, enjoying the new campus, and taking in all the summit has to offer, including the chocolate table. Great #OpenSource meeting with a good mix of #OpenScience, representing Open Chemistry in our third year as a mentoring org!

At the #gsoc Mentor Summit, enjoying the new campus, and taking in all the summit has to offer, including the chocolate table. Great #OpenSource meeting with a good mix of #OpenScience, representing <a href="/OpenChem/">Open Chemistry</a> in our third year as a mentoring org!
Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

Read about some recent Open Chemistry work getting Avogadro Project binary wheels for Python, visualization in JupyterLab using 3DMol or vtk.js to offer quantum chemistry visualization in your local notebooks and with Binder! #OpenScience #OpenSource blog.kitware.com/open-chemistry…

Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

"Nanocrystals Get Better When They Double Up With MOFs" shows a simulation of self-assembling 2D nanocrystal/MOF material for energy storage visualized using Tomviz by Berkeley Lab youtu.be/sxl3fN4wT5w

Open Chemistry (@openchem) 's Twitter Profile Photo

We are very pleased that our project has been accepted as a mentoring org in @gsoc for our fourth year! If you know of any students who would like to work on open source and chemistry please send them our way! A great selection of projects/ideas is at openchemistry.org/gsoc/

Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

Slides on Open Chemistry, Project Jupyter and data: Reproducible quantum chemistry as part of the MolSSI session at #ACSOrlando on Sunday. Our #OpenSource work enabling more #OpenScience in the molecular sciences. I am here until Wednesday evening. speakerdeck.com/cryos/open-che…

Open Chemistry (@openchem) 's Twitter Profile Photo

We have seven @gsoc projects this year covering a range of #OpenSource chemistry projects. Please join us in welcoming our students this year! #OpenScience summerofcode.withgoogle.com/organizations/…

Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

We are holding free courses 22-25 July, including one on Tomviz on 24 July at our headquarters in Clifton Park, NY. Come and learn how to use Tomviz for all of your materials tomography needs! Also CMake, VTK, ParaView and Girder courses, register now blog.kitware.com/events/free-vt…

We are holding free courses 22-25 July, including one on Tomviz on 24 July at our headquarters in Clifton Park, NY. Come and learn how to use Tomviz for all of your materials tomography needs! Also CMake, VTK, ParaView and Girder courses, register now

blog.kitware.com/events/free-vt…
Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

I just heard that @gsoc accepted the Open Chemistry organization as a mentoring org! We are all very pleased, and looking forward to taking part in another summer of code! If you know students that are interested in #OpenSource and chemistry/related areas please send them our way

@physicsteo .bsky.social (he/him/Dr) (@physicsteo) 's Twitter Profile Photo

With *really* interactive molecular visualization (YOU play with visualization parameters!) & videos of Marcus D. Hanwell showing and telling, all within the article. #DeathToSupplementaryInformationOfDeath #CompChem

Open Chemistry (@openchem) 's Twitter Profile Photo

Read more about open chemistry in a forward looking article published in IJQC showing what the future of data creation and dissemination could look like!

Marcus D. Hanwell (@mhanwell) 's Twitter Profile Photo

Excited that Open Chemistry was selected as a @gsoc mentoring organization again!!! Combing #OpenSource, #OpenScience and of course #OpenChemistry with improving student participation to enable scientific research. Back in 2007 I was a student in this program working on Avogadro Project

Open Chemistry (@openchem) 's Twitter Profile Photo

We are in @gsoc for our third year, very pleased to have projects for Avogadro Project, 3DMol.js, cclib, MSDK, RDKit, Open Babel, NWChem, and new this year The DeepChem Project! If you are a student come work on #OpenSource software for #OpenScience with us! openchemistry.org/gsoc/

Open Chemistry (@openchem) 's Twitter Profile Photo

If you are thinking of submitting a proposal please do it soon, check out our GSoC page for more details on Open Chemistry projects openchemistry.org/gsoc and get in touch with mentors for projects as early as possible! #OpenSource #OpenScience projects! x.com/gsoc/status/97…

Geoff Hutchison (@ghutchis@mastodon.social) (@ghutchis) 's Twitter Profile Photo

.Open Chemistry received over 50 @gsoc proposals this year, over *double* the past two years! Lots of excellent applications - now the hard work begins to review them all!

.<a href="/OpenChem/">Open Chemistry</a> received over 50 @gsoc proposals this year, over *double* the past two years! Lots of excellent applications - now the hard work begins to review them all!