Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361
β660Oct 30, 2025Updated 4 months ago
Alternatives and similar repositories for plip
Users that are interested in plip are comparing it to the libraries listed below
Sorting:
- Interaction Fingerprints for protein-ligand complexes and moreβ481Mar 12, 2026Updated last week
- PDBFixer fixes problems in PDB filesβ631Mar 10, 2026Updated last week
- A deep learning framework for molecular dockingβ876Feb 26, 2026Updated 3 weeks ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β401Updated this week
- AutoDock Vinaβ941Feb 25, 2026Updated 3 weeks ago
- Interface for AutoDock, molecule parameterizationβ347Mar 6, 2026Updated 2 weeks ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scienβ¦β452Mar 9, 2026Updated last week
- Reduce - tool for adding and correcting hydrogens in PDB filesβ171Jan 5, 2026Updated 2 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.β342Updated this week
- Open Drug Discovery Toolkitβ462Dec 13, 2022Updated 3 years ago
- Plausibility checks for generated molecule poses.β363Mar 7, 2026Updated 2 weeks ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Dockingβ1,461May 2, 2025Updated 10 months ago
- HTMD: Programming Environment for Molecular Discoveryβ273Mar 4, 2026Updated 2 weeks ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pocketsβ392Nov 16, 2023Updated 2 years ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RBβ¦β220Mar 4, 2026Updated 2 weeks ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.β736Jun 19, 2024Updated last year
- Protein-ligand structure predictionβ239Jul 31, 2025Updated 7 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sitesβ167Apr 7, 2023Updated 2 years ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and dataβ973Updated this week
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proβ¦β104Oct 6, 2020Updated 5 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative modelβ326Oct 6, 2025Updated 5 months ago
- A Python Package for Protein Dynamics Analysisβ534Mar 9, 2026Updated last week
- AutoDock for GPUs and other acceleratorsβ572Mar 10, 2026Updated last week
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a proteinβ541Feb 19, 2025Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithmβ385Sep 16, 2025Updated 6 months ago
- Collected scripts for Pymolβ519Mar 1, 2026Updated 3 weeks ago
- β113Apr 17, 2023Updated 2 years ago
- MoleculeKit: Your favorite molecule manipulation kitβ236Mar 11, 2026Updated last week
- Calculation of interatomic interactions in molecular structuresβ123Sep 3, 2024Updated last year
- A dependency-free cross-platform swiss army knife for PDB files.β449Feb 3, 2026Updated last month
- A Euclidean diffusion model for structure-based drug design.β491Jun 25, 2025Updated 8 months ago
- β39Jun 10, 2023Updated 2 years ago
- β371May 24, 2025Updated 9 months ago
- β137Nov 18, 2018Updated 7 years ago
- A Python library for structural cheminformaticsβ104Nov 18, 2025Updated 4 months ago
- Diffusion model based protein-ligand flexible docking methodβ117Oct 30, 2024Updated last year
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Coβ¦β186Feb 7, 2022Updated 4 years ago
- Uni-Dock: a GPU-accelerated molecular docking programβ282Dec 15, 2025Updated 3 months ago
- Scoring of shape and ESP similarity with RDKitβ233Aug 19, 2025Updated 7 months ago