Skip to main content

A toolkit for molecular dynamics simulations

Project description

molecular

a package for molecular dynamics simulations and analysis

https://img.shields.io/pypi/v/molecular https://img.shields.io/travis/com/lockhartlab/molecular/master https://img.shields.io/codecov/c/github/lockhartlab/molecular/master

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

Project details


Release history Release notifications | RSS feed

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distributions

No source distribution files available for this release.See tutorial on generating distribution archives.

Built Distribution

molecular-0.2.5-cp310-cp310-macosx_10_9_x86_64.whl (267.4 kB view details)

Uploaded CPython 3.10 macOS 10.9+ x86-64

File details

Details for the file molecular-0.2.5-cp310-cp310-macosx_10_9_x86_64.whl.

File metadata

File hashes

Hashes for molecular-0.2.5-cp310-cp310-macosx_10_9_x86_64.whl
Algorithm Hash digest
SHA256 fea782baaae94e5e7715a36fdbe267fe9b38fedef57fc574067e5cc998d29c92
MD5 239f83a8d21418ada156227a209fc706
BLAKE2b-256 869e011616995140c5eef2aa0af83966f5b7b3cc5e9daff71101313878428771

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page