Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
Package Usage: conda: openpathsampling
OpenPathSampling is a library for trajectory-based rare events simulations, including transition path sampling, transition interface sampling, and committor simulations. Note that for real-world usage, you must also install one of the powerful molecular dynamics engines that OPS interfaces with, such as OpenMM or Gromacs. If you install those seprately, OPS will automatically support your installation of them.
9 versions
Latest release: almost 3 years ago
1 dependent package
View more package details: https://packages.ecosyste.ms/registries/anaconda.org/packages/openpathsampling
View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/openpathsampling%2Fopenpathsampling
Dependent Repos 2
openpathsampling/ops_tutorial
Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling- binder/environment.yml
Size: 28.7 MB - Last synced: 3 months ago - Pushed: 5 months ago
openpathsampling/ops_additional_examples
Additional examples illustrating various aspects of OpenPathSampling- binder/environment.yml
Size: 1.27 MB - Last synced: about 1 month ago - Pushed: about 1 month ago