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This kind of encoding has found many applications in drug-discovery projects, from structure-based virtual-screening to machine-learning. Here, we present ProLIF, a Python library designed to generate interaction fingerprints for molecular complexes extracted from molecular dynamics trajectories, experimental structures, and docking simulations. It can handle complexes formed of any combination of ligand, protein, DNA, or RNA molecules. The available interaction types can be fully reparametrized or extended by user-defined ones. Several tutorials that cover typical use-case scenarios are available, and the documentation is accompanied with code snippets showcasing the integration with other data-analysis libraries for a more seamless user-experience. The library can be freely installed from our GitHub repository (\n                    <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/github.com\/chemosim-lab\/ProLIF\">https:\/\/github.com\/chemosim-lab\/ProLIF<\/jats:ext-link>\n                    ).\n                  <\/jats:p>","DOI":"10.1186\/s13321-021-00548-6","type":"journal-article","created":{"date-parts":[[2021,9,25]],"date-time":"2021-09-25T15:02:53Z","timestamp":1632582173000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":476,"title":["ProLIF: a library to encode molecular interactions as fingerprints"],"prefix":"10.1186","volume":"13","author":[{"given":"C\u00e9dric","family":"Bouysset","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2245-0478","authenticated-orcid":false,"given":"S\u00e9bastien","family":"Fiorucci","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2021,9,25]]},"reference":[{"key":"548_CR1","doi-asserted-by":"publisher","first-page":"2489","DOI":"10.1021\/acs.jmedchem.0c02227","volume":"64","author":"A Fischer","year":"2021","unstructured":"Fischer A, Smie\u0161ko M, Sellner M, Lill MA (2021) Decision making in structure-based drug discovery: visual inspection of docking results. 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