
Open Chemistry
@openchem
Open chemistry - source code, data, workflows, everything!
ID: 2533383738
https://openchemistry.org/ 29-05-2014 20:59:40
30 Tweet
709 Takipçi
8 Takip Edilen


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


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!


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


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!


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…

"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


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…



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


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


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

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 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!
