Open Force Field to PELE
Project description
About | [](LICENSE) [](https://martimunicoy.github.io/offpele) [](https://github.com/martimunicoy/offpele/releases/) |
:—— | :——- |
Status | [](https://lgtm.com/projects/g/martimunicoy/offpele/context:python) [](https://github.com/martimunicoy/offpele/actions?query=workflow%3ATest) [](https://codecov.io/gh/martimunicoy/offpele) |
# Open Force Field to PELE The offpele (Open Force Field to PELE) is a Python package that builds [PELE](https://pele.bsc.es/pele.wt)-compatible force field templates using the [Open Force Field toolkit](https://github.com/openforcefield/openforcefield).
## Documentation The documentation for the offpele package is available at [GitHub Pages](https://martimunicoy.github.io/offpele).
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
offpele-0.3.1.tar.gz
(129.5 kB
view details)
Built Distribution
offpele-0.3.1-py3-none-any.whl
(127.5 kB
view details)
File details
Details for the file offpele-0.3.1.tar.gz.
File metadata
- Download URL: offpele-0.3.1.tar.gz
- Upload date:
- Size: 129.5 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.2.0 pkginfo/1.5.0.1 requests/2.24.0 setuptools/47.1.0 requests-toolbelt/0.9.1 tqdm/4.49.0 CPython/3.8.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 309da29c79533934f8f278bdb335e252fc9c040e0de632c41dabec1f6290250b |
|
| MD5 | e4d4fe8377c6c4ee811e9f1efc5cd12a |
|
| BLAKE2b-256 | bd8b6495ceef41bd0b5756e5237ce49fd22eee84cc91e9227e36354cc72acbc0 |
File details
Details for the file offpele-0.3.1-py3-none-any.whl.
File metadata
- Download URL: offpele-0.3.1-py3-none-any.whl
- Upload date:
- Size: 127.5 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.2.0 pkginfo/1.5.0.1 requests/2.24.0 setuptools/47.1.0 requests-toolbelt/0.9.1 tqdm/4.49.0 CPython/3.8.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 92ca934c6e91cd6f2132c5b44000a5e5a64c3d9778d4add9390a048be0837689 |
|
| MD5 | 028d858bd5d80e98b71a2be213ebb35e |
|
| BLAKE2b-256 | fb490b4dab573a20d5b6c8d7a85e7b03893d0456e08b995d11fe546fdd010077 |
](LICENSE){kind=link}
](https://martimunicoy.github.io/offpele){kind=link}
](https://github.com/martimunicoy/offpele/releases/){kind=link}
](https://lgtm.com/projects/g/martimunicoy/offpele/context:python){kind=link}
](https://github.com/martimunicoy/offpele/actions?query=workflow%3ATest){kind=link}
](https://codecov.io/gh/martimunicoy/offpele){kind=link}
](https://anaconda.org/martimunicoy/offpele){kind=link}