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
β693Oct 30, 2025Updated 8 months ago
Alternatives and similar repositories for plip
Users that are interested in plip are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Interaction Fingerprints for protein-ligand complexes and moreβ508Jun 21, 2026Updated last week
- PDBFixer fixes problems in PDB filesβ659Mar 10, 2026Updated 3 months ago
- A deep learning framework for molecular dockingβ943Jun 21, 2026Updated last week
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β438May 20, 2026Updated last month
- AutoDock Vinaβ1,018Feb 25, 2026Updated 4 months ago
- Virtual machines for every use case on DigitalOcean β’ AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Interface for AutoDock, molecule parameterizationβ371Jun 15, 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¦β480Mar 9, 2026Updated 3 months ago
- Reduce - tool for adding and correcting hydrogens in PDB filesβ180Jan 5, 2026Updated 5 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.β363Mar 21, 2026Updated 3 months ago
- Open Drug Discovery Toolkitβ466Dec 13, 2022Updated 3 years ago
- Plausibility checks for generated molecule poses.β381Mar 7, 2026Updated 3 months ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Dockingβ1,532May 2, 2025Updated last year
- HTMD: Programming Environment for Molecular Discoveryβ274Updated this week
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pocketsβ406Nov 16, 2023Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI β’ AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RBβ¦β225Mar 4, 2026Updated 3 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.β762Jun 19, 2024Updated 2 years ago
- Protein-ligand structure predictionβ240Jul 31, 2025Updated 11 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sitesβ167Apr 7, 2023Updated 3 years ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and dataβ1,027Updated this week
- AutoDock for GPUs and other acceleratorsβ594Jun 5, 2026Updated 3 weeks ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proβ¦β105Oct 6, 2020Updated 5 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a proteinβ546Feb 19, 2025Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative modelβ331Oct 6, 2025Updated 8 months ago
- Deploy on Railway without the complexity - Free Credits Offer β’ AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithmβ400Sep 16, 2025Updated 9 months ago
- A Python Package for Protein Dynamics Analysisβ549Jun 22, 2026Updated last week
- Collected scripts for Pymolβ529Mar 1, 2026Updated 4 months ago
- β117Apr 17, 2023Updated 3 years ago
- MoleculeKit: Your favorite molecule manipulation kitβ237Updated this week
- β39Jun 10, 2023Updated 3 years ago
- Calculation of interatomic interactions in molecular structuresβ137Sep 3, 2024Updated last year
- A dependency-free cross-platform swiss army knife for PDB files.β456Jun 10, 2026Updated 3 weeks ago
- β375May 24, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer β’ AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A Euclidean diffusion model for structure-based drug design.β514Jun 25, 2025Updated last year
- A Python library for structural cheminformaticsβ109Nov 18, 2025Updated 7 months ago
- β142Nov 18, 2018Updated 7 years ago
- Diffusion model based protein-ligand flexible docking methodβ117Oct 30, 2024Updated last year
- A package to identify matched molecular pairs and use them to predict property changes.β290Jun 3, 2026Updated 3 weeks ago
- 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¦β191Feb 7, 2022Updated 4 years ago
- Uni-Dock: a GPU-accelerated molecular docking programβ301Jun 22, 2026Updated last week