Python implementation of the multistate Bennett acceptance ratio (MBAR) method.
Project description
- Pymbar (https://simtk.org/home/pymbar) is a library
that provides tools for optimally combining simulations from multiple thermodynamic states using maximum likelihood methods to compute free energies (normalization constants) and expectation values from all of the samples simultaneously.
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 Distribution
pymbar-2.1.0-beta.tar.gz
(50.4 kB
view details)
File details
Details for the file pymbar-2.1.0-beta.tar.gz.
File metadata
- Download URL: pymbar-2.1.0-beta.tar.gz
- Upload date:
- Size: 50.4 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 012913246fc1a64c8251f71755e5ad58b756b6b330e564ba403d600cd2a86fd8 |
|
| MD5 | 07cf504f2746097d06c7b2decf5660f1 |
|
| BLAKE2b-256 | 83529f974f1ceb41ed8785367e1fa55f70c696b693768ddaeb39d4fc0bb8a63e |
