Tools for integrating OpenPathSampling and FABULOUS
Project description
fabulous-paths
Tools to integrate OpenPathSampling and FABULOUS.
fabulous-paths
is a set of tools that bridge between
OpenPathSampling, especially the
OpenPathSampling CLI, and the
analysis tools provided by
FABULOUS.
To learn more about FABULOUS, read the original paper here:
Installation
fabulous-paths
can be installed ... (eventually this will give pip
and
conda
instructions). Installing fabulous-paths
will automatically also
install OpenPathSampling, the OpenPathSampling CLI, and FABULOUS, if you do not
already have these installed.
Citing
When using fabulous-paths
, please cite the following papers (for various
functionality included):
- FABULOUS: https://doi.org/10.1021/acs.jctc.0c00981
- OpenPathSampling: https://doi.org/10.1021/acs.jctc.8b00626
Support and Development
fabulous-paths
is an open source project, released under the GNU LGPL,
version 3.0 or (at your option) any later version. Development takes place in
public at http://github.com/openpathsampling/paths-fabulous.
As this package is mostly a thin adapter, problems are more likely to arise through either OpenPathSampling or FABULOUS. Please first contact those packages through their help forums:
- Getting help with OpenPathSampling
- Getting help with FABULOUS
Project details
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
Built Distribution
File details
Details for the file fabulous-paths-0.0.1.tar.gz
.
File metadata
- Download URL: fabulous-paths-0.0.1.tar.gz
- Upload date:
- Size: 14.5 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.4.1 importlib_metadata/4.0.1 pkginfo/1.7.0 requests/2.25.1 requests-toolbelt/0.9.1 tqdm/4.60.0 CPython/3.9.4
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | c7fcda4e5a5ef8614f751f1a2ba598f22de511e44d9a5b1e3e78a028f638adb9 |
|
MD5 | 70a2b7410310c27279ad84254b0f9261 |
|
BLAKE2b-256 | 423f3221e6e31c5fc1dd24d2f50655a25ee3e35dfef0d2556fd009306598a9a2 |
File details
Details for the file fabulous_paths-0.0.1-py2.py3-none-any.whl
.
File metadata
- Download URL: fabulous_paths-0.0.1-py2.py3-none-any.whl
- Upload date:
- Size: 13.8 kB
- Tags: Python 2, Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.4.1 importlib_metadata/4.0.1 pkginfo/1.7.0 requests/2.25.1 requests-toolbelt/0.9.1 tqdm/4.60.0 CPython/3.9.4
File hashes
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4088a32d0a3d72491240d61ef7d0a40a6745ba0d0fce745c42192aa20caa61b3 |
|
MD5 | 84ff420142bf8d98d8de460569e24402 |
|
BLAKE2b-256 | cd66f41b44b746192584770e22589a7fd0a2eb91d6e17f0e9f21f4e2fd008df1 |