WellFARe - The Wellington Fast Assessment of REactions
Project description
The wellfare package is a collection of quantum chemical programs that interact with electronic structure packages in order to aid analysis and computation. The distribution includes a tool to compare 3d structures, the Free Energy Decomposition Analysis, the mincepies tool for conformer generation and the wellfare force field itself.
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
wellfare-1.0.3.tar.gz
(45.7 kB
view details)
File details
Details for the file wellfare-1.0.3.tar.gz.
File metadata
- Download URL: wellfare-1.0.3.tar.gz
- Upload date:
- Size: 45.7 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
baeca98660f16c9f09af430b13d242e3aaef93d002314c8d1226a5f40f7b9a23
|
|
| MD5 |
cdc821d8d2b022ce3b2a9d5c316b2ea2
|
|
| BLAKE2b-256 |
5990dcb1dad53eb590e6905bdea5525a7984bb9e98ed43bff71c7fb6792d5a8e
|
