This release is a pre-release and may not be stable for production use.
a package for molecular dynamics simulations and analysis
note that this package is still in development at this stage, I’m only building thing as they come to mind version 1.0 will be the first major release until then, consider this code heavily volatile
Note: portions of this code have Fortran backends that may need to be built prior to successful use of the code. We have it on our to-do list to compile OS-specific wheels.
yet, install simply by calling pip install molecular or pip install –pre molecular for the latest development release.
we endeavor to follow https://scikit-learn.org/stable/developers/performance.html
similar packages: BioSimSpace MDAnalysis MDTraj
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
File details
Details for the file molecular-0.1.dev282.tar.gz.
File metadata
- Download URL: molecular-0.1.dev282.tar.gz
- Upload date:
- Size: 162.3 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via:
twine/4.0.1 CPython/3.8.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
12f7c2a4536590f9909923cf6a92be19dd1af11376e4209968ea359bcc406895
|
|
| MD5 |
749016fafb43f7076da9591c8d2431fe
|
|
| BLAKE2b-256 |
86ecd27fbd91ff9b7b22c2b4999198cf86dd413f649ec2e51d8c0bf0534b8414
|
