Package: UWHAM 1.1

Zhiqiang Tan

UWHAM: Unbinned Weighted Histogram Analysis Method (UWHAM)

A method for estimating log-normalizing constants (or free energies) and expectations from multiple distributions (such as multiple generalized ensembles).

Authors:Zhiqiang Tan and Emilio Gallicchio

UWHAM_1.1.tar.gz
UWHAM_1.1.tar.gz(r-4.5-noble)UWHAM_1.1.tar.gz(r-4.4-noble)
UWHAM_1.1.tgz(r-4.4-emscripten)UWHAM_1.1.tgz(r-4.3-emscripten)
UWHAM.pdf |UWHAM.html✨
UWHAM/json (API)
NEWS

# Install 'UWHAM' in R:
install.packages('UWHAM', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org'))

Peer review:

Datasets:
  • cyclooctanol - A simulated tempering dataset of interaction parameters and binding energies
  • ligand2.hard - A dataset of binding energies obtained with a conventional interaction potential
  • ligand2.soft - A dataset of binding energies with a soft-core interaction potential

This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.

1.48 score 4 scripts 167 downloads 3 mentions 6 exports 1 dependencies

Last updated 2 years agofrom:98d491a0f5. Checks:OK: 2. Indexed: yes.

TargetResultDate
Doc / VignettesOKNov 02 2024
R-4.5-linuxOKNov 02 2024

Exports:histwinsertobj.fcnuwhamuwham.bootuwham.phi

Dependencies:trust