pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project. (by materialsproject)
klipse
Klipse is a JavaScript plugin for embedding interactive code snippets in tech blogs. (by viebel)
pymatgen | klipse | |
---|---|---|
5 | 14 | |
1,370 | 3,088 | |
2.4% | - | |
9.8 | 0.0 | |
4 days ago | over 1 year ago | |
Python | HTML | |
GNU General Public License v3.0 or later | GNU General Public License v3.0 only |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
pymatgen
Posts with mentions or reviews of pymatgen.
We have used some of these posts to build our list of alternatives
and similar projects.
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Robust references for computational chemistry and python
Pymatgen https://pymatgen.org
- materialsproject/pymatgen: Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
- Any beginner to intermediate level python program projects that are CHEMISTRY based?
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using VASP without a license
Not aware of anything that would let you run a bootleg/free version of VASP. I might recommend you read this book by J.G. Lee (look for the 2nd edition). You may or may not be able to find a PDF of the text somewhere on the web. The book has several walk-throughs for some simple VASP calculations and details on the input files (POSCAR, INCAR, etc.). This might be a good way to start. Running a VASP calculation is easy enough, it is important to understand the limitations of DFT and what you can/cannot simulate. I would also strongly recommend familiarizing yourself with pymatgen. It is a python package with lots of useful tools from working with materials in a digital format and has many integrations with VASP (and other computational material science tools)
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Another error on pymatgen
If you have issues with Pymatgen, you are better off posting an issue on their GitHub page if it's a bug or on the MatSci Discourse if you have questions.
klipse
Posts with mentions or reviews of klipse.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2022-05-06.
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Adyen Tech Academy: Taking Onboarding and Upskilling to The Next Level
There's also a whole bunch of knowledge that exists outside the company, and hearing different ideas always helps us to sharpen our perspectives. To that end, we do our best to invite world-class engineers to give talks at Adyen. Sam Newman (the author of Monoliths to Microservices), Steve Freeman (Growing Object-Oriented Systems Guided by Tests), Yehonathan Sharvit (Data-Oriented Programming), and Gergely Orosz (The Pragmatic Engineer) are a few of the names we had this year. We also have invited academics to talk about their research. Michael Hilton (who spoke about mob programming), Jonathan Bell (flaky tests) and Burcu Kulahcioglu Ozkan (testing distributed systems) are among the speakers.
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Pryrite: Interactively execute shell code blocks in a Markdown file
For doing something similar in a browser, klipse supports over a dozen languages - https://github.com/viebel/klipse
- Try Clojure – An interactive tutorial in the browser
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Interactive Clojure tutorial
I have built this interactive Clojure tutorial using OrgPad and Klipse. Within an hour or two, one can go through all basics of Clojure. Interactive code snippets allow to play with Clojure, without having to install anything on your computer or having to copy code snippets to web-based REPL. When people discover how amazing the language is, they can invest into getting their IDE and REPL running.
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New playground for Go
And maybe also traefik/yaegi in combination with viebel/klipse. (Steps for using Klipse & Yaegi here and here.)
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Data-Oriented Programming is dope
Yehonathan Sharvit explains that in his book Data-oriented programming. The book explores tenets of this paradigm, as a dialog between two people.
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📖 Data-Oriented Programming book: First draft
You can find a discount code on my blog.
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Top 10 Trending Projects on GitHub for Web Developers
Checkout this repo here
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Show HN: Run Python, Ruby, Node.js, C++, Lua in the Browser via x86 to WASM JIT
This is awesome! Thanks for providing more details (was a bit hard to notice at first) [0].
For folks here interested in doing this kind of thing (one example is for building web-available IDEs) the other way to run languages in the browser is to find implementations of the language in JavaScript like Brython for Python and there are a few Schemes that come to mind. I wrote a bit about this here [1].
Some people have taken this even further [2, 3].
[0] https://github.com/fiugd/plugins/tree/main/languages
[1] https://datastation.multiprocess.io/blog/2021-06-16-language...
[2] https://github.com/fiugd/plugins/tree/main/.templates
[3] https://github.com/viebel/klipse
- A new way of blogging about Golang