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:
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')) |
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.
Last updated 3 years agofrom:98d491a0f5. Checks:OK: 2. Indexed: yes.
Target | Result | Date |
---|---|---|
Doc / Vignettes | OK | Dec 02 2024 |
R-4.5-linux | OK | Dec 02 2024 |
Exports:histwinsertobj.fcnuwhamuwham.bootuwham.phi
Dependencies:trust