MolPrep
A Python package designed to streamline the preparation of protein structures and drug-like molecules for virtual screening workflows. MolPrep provides an intuitive drag-and-drop interface for building and executing sequential processing pipelines.
Installation
Using uv:
uv add molprep
Using pip:
pip install molprep
Development Installation
git clone https://github.com/abhishektiwari/molprep.git
cd molprep
uv sync
Run the development checks through the locked uv environment:
make format
make check
1 maintainer
Release files for molprep 0.0.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| molprep-0.0.3.tar.gz | 134.0 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| molprep-0.0.3-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 137.4 kB
Release files / molprep-0.0.3.tar.gz
| Download URL | molprep-0.0.3.tar.gz |
|---|---|
| Size | 134.0 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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Yes |
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twine/7.0.0 CPython/3.13.14
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Transparency logRelease files / molprep-0.0.3-py3-none-any.whl
| Download URL | molprep-0.0.3-py3-none-any.whl |
|---|---|
| Size | 3.4 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 | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
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