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Description
BindFlow is a snakemake-based workflow for ABFE calculations using GROMACS.
Documentation
The installation instructions, documentation and tutorials can be found online on ReadTheDocs.
Issues
If you have found a bug, please open an issue on the GitHub Issues.
Discussion
If you have questions on how to use BindFlow, or if you want to give feedback or share ideas and new features, please head to the GitHub Discussions.
Citing BindFlow
Please refer to the citation page on the documentation.
Funding
This project received funding from Marie Skłodowska-Curie Actions. It was developed in the Computational Biophysics Group of Saarland University.
Acknowledgment
This project was forked from ABFE_workflow.
1 maintainer
Metadata
1 maintainer
Release files for bindflow 0.16.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| bindflow-0.16.3.tar.gz | 313.0 kB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| bindflow-0.16.3-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 734.9 kB
Release files / bindflow-0.16.3.tar.gz
| Download URL | bindflow-0.16.3.tar.gz |
|---|---|
| Size | 313.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.10.20
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Release files / bindflow-0.16.3-py3-none-any.whl
| Download URL | bindflow-0.16.3-py3-none-any.whl |
|---|---|
| Size | 422.0 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.2.0 CPython/3.10.20
|
Security for bindflow 0.16.3
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