# ProLIF

> Interaction Fingerprints for protein-ligand complexes and more

**Wikidata**: [Q120703065](https://www.wikidata.org/wiki/Q120703065)  
**Source**: https://4ort.xyz/entity/prolif

## Summary
ProLIF (Protein-Ligand Interaction Fingerprints) is a free software library designed to encode molecular interactions as fingerprints for protein-ligand complexes. Written in Python and distributed under the Apache Software License 2.0, it provides tools for analyzing structural interaction data. The library is actively maintained, with its most recent stable release (version 2.0.2) published in March 2024.

## Key Facts
- **Entity Type:** Free software / Python library.
- **Primary Function:** Encodes molecular interactions as fingerprints for protein-ligand complexes and related structural analysis.
- **License:** Apache Software License 2.0.
- **Programming Language:** Python.
- **Source Code Repository:** [github.com/chemosim-lab/ProLIF](https://github.com/chemosim-lab/ProLIF)
- **Documentation:** [prolif.readthedocs.io](https://prolif.readthedocs.io/en/stable/)
- **Latest Stable Version:** 2.0.2 (released March 6, 2024).
- **Initial Development:** The provided record traces releases back to version 0.3.0 on December 22, 2020.

## FAQs
### Q: What is ProLIF used for?
A: ProLIF is used to generate interaction fingerprints for protein-ligand complexes. It allows researchers to encode complex molecular interaction data into a format suitable for analysis and comparison.

### Q: Is ProLIF free to use?
A: Yes, ProLIF is classified as free software and is distributed under the Apache Software License 2.0, allowing users to freely run, study, and distribute it.

### Q: Where can ProLIF be downloaded?
A: The software is available for download from its GitHub repository at `https://github.com/chemosim-lab/ProLIF/releases`.

## Why It Matters
ProLIF addresses a specific need in computational chemistry and structural biology: the efficient translation of three-dimensional molecular coordinates into interpretable interaction data. By encoding protein-ligand interactions as fingerprints, the library enables the systematic comparison of binding poses, the analysis of molecular dynamics trajectories, and the screening of potential drug candidates.

Its implementation in Python makes it accessible to a broad range of scientists who utilize the popular programming language for data analysis. The software's classification as free software under the permissive Apache 2.0 license further lowers barriers to entry, allowing for integration into both academic and commercial workflows without licensing costs. The active release schedule, spanning from 2020 to 2024, indicates ongoing maintenance and responsiveness to user needs.

## Notable For
- **Specialized Encoding:** Specifically designed to encode molecular interactions as fingerprints for protein-ligand complexes.
- **Open Source Accessibility:** Distributed under the Apache Software License 2.0, ensuring wide usability.
- **Python Integration:** Built entirely in Python, facilitating easy integration into cheminformatics pipelines.
- **Active Maintenance:** Demonstrates a consistent release history, with multiple updates including versions 1.0.0 (2022) and 2.0.0 (2023).

## Body

### Technical Overview
ProLIF is a library built for the Python programming language. It is categorized as free software and is designed to function as a tool for encoding molecular interactions. The software is described by the source "ProLIF: a library to encode molecular interactions as fingerprints."

### Version History
The development of ProLIF is documented through a series of releases ranging from 2020 to 2024.
- **Early Versions (0.3.x):** The earliest version listed in the provided data is 0.3.0, released on December 22, 2020. Subsequent patches in this series occurred throughout 2021, culminating in version 0.3.4 on September 28, 2021.
- **Version 1.0.0:** A significant milestone was reached with the release of version 1.0.0 on June 7, 2022, followed by version 1.1.0 on November 17, 2022.
- **Stable Releases (2.0.x):** The software moved to stable versioning with the release of 2.0.0 on September 3, 2023. The most recent version cited in the source material is **2.0.2**, released on **March 6, 2024**.

### Availability and Resources
The software is hosted on GitHub under the organization `chemosim-lab`.
- **Download URL:** `https://github.com/chemosim-lab/ProLIF/releases`
- **Documentation:** `https://prolif.readthedocs.io/en/stable/`
- **Source Repository:** `https://github.com/chemosim-lab/ProLIF`

## References

1. [Release 0.3.0. 2020](https://github.com/chemosim-lab/ProLIF/releases/tag/v0.3.0)
2. [Release 0.3.1. 2021](https://github.com/chemosim-lab/ProLIF/releases/tag/v0.3.1)
3. [Release 0.3.2. 2021](https://github.com/chemosim-lab/ProLIF/releases/tag/v0.3.2)
4. [Release 0.3.3. 2021](https://github.com/chemosim-lab/ProLIF/releases/tag/v0.3.3)
5. [Release 0.3.4. 2021](https://github.com/chemosim-lab/ProLIF/releases/tag/v0.3.4)
6. [Release 1.0.0. 2022](https://github.com/chemosim-lab/ProLIF/releases/tag/v1.0.0)
7. [Release 1.1.0. 2022](https://github.com/chemosim-lab/ProLIF/releases/tag/v1.1.0)
8. [Release 2.0.0. 2023](https://github.com/chemosim-lab/ProLIF/releases/tag/v2.0.0)
9. [Release 2.0.1. 2023](https://github.com/chemosim-lab/ProLIF/releases/tag/v2.0.1)
10. [Release 2.0.2. 2024](https://github.com/chemosim-lab/ProLIF/releases/tag/v2.0.2)
11. [Release 2.0.3. 2024](https://github.com/chemosim-lab/ProLIF/releases/tag/v2.0.3)
12. [Release 2.1.0. 2026](https://github.com/chemosim-lab/ProLIF/releases/tag/v2.1.0)
13. [Source](https://api.github.com/repos/chemosim-lab/ProLIF)