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Pymatgen Alternatives
Similar projects and alternatives to pymatgen
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BestPractices
Things that you should (and should not) do in your Materials Informatics research. (by anthony-wang)
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WorkOS
The modern identity platform for B2B SaaS. The APIs are flexible and easy-to-use, supporting authentication, user identity, and complex enterprise features like SSO and SCIM provisioning.
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Zenbot 3
Discontinued Zenbot is a command-line cryptocurrency trading bot using Node.js and MongoDB.
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NOTE:
The number of mentions on this list indicates mentions on common posts plus user suggested alternatives.
Hence, a higher number means a better pymatgen alternative or higher similarity.
pymatgen reviews and mentions
Posts with mentions or reviews of pymatgen.
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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.
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A note from our sponsor - InfluxDB
www.influxdata.com | 19 Apr 2024
Stats
Basic pymatgen repo stats
5
1,364
9.9
5 days ago
materialsproject/pymatgen is an open source project licensed under GNU General Public License v3.0 or later which is an OSI approved license.
The primary programming language of pymatgen is Python.
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