Webpage: | https://chemlab.github.com/chemlab |
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Project Page: | https://github.com/chemlab/chemlab |
Mailing List: | python-chemlab.googlegroups.com |
Downloads: | https://chemlab.github.com/chemlab |
Chemlab is a library that can help the user with chemistry-relevant calculations using the flexibility and power of the python programming language. It aims to be well-designed and pythonic, taking inspiration from project such as numpy and scipy.
Chemlab long term goal is to be:
Computational and theoretical chemistry is a huge field, and providing a program that encompasses all aspect of it is an impossible task. The spirit of chemlab is to provide a common ground from where you can build specific programs. For this reason it includes an fully programmable molecular viewer.
Chemlab is in its early developement and it provides the most basic data structures. The molecular viewer has a solid ground and can actually draw and play trajectories in an efficient way. To get started be sure to check the User Manual.
Chemlab is developer-friendly, it provides good documentation and has an easy structure to get in. Feel free to send me anything that you may do with chemlab, like supporting a new file format, a new graphic renderer, a nice example, even if you don’think it’s perfect. Send an email to the mailing list or file an issue on the github page to discuss any idea that comes to your mind. Get involved!
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