Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361
☆708Jul 3, 2026Updated last month
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 more☆530Aug 1, 2026Updated last week
- PDBFixer fixes problems in PDB files☆668Mar 10, 2026Updated 5 months ago
- A deep learning framework for molecular docking☆960Jun 29, 2026Updated last month
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆450Jul 5, 2026Updated last month
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆497Mar 9, 2026Updated 5 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- AutoDock Vina☆1,051Feb 25, 2026Updated 5 months ago
- Interface for AutoDock, molecule parameterization☆383Updated this week
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆372Jul 31, 2026Updated last week
- Reduce - tool for adding and correcting hydrogens in PDB files☆183Jan 5, 2026Updated 7 months ago
- Open Drug Discovery Toolkit☆470Dec 13, 2022Updated 3 years ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,561May 2, 2025Updated last year
- Plausibility checks for generated molecule poses.☆397Mar 7, 2026Updated 5 months ago
- HTMD: Programming Environment for Molecular Discovery☆276Updated this week
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆408Nov 16, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆225Mar 4, 2026Updated 5 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆766Jun 19, 2024Updated 2 years ago
- Protein-ligand structure prediction☆241Jul 31, 2025Updated last year
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆168Apr 7, 2023Updated 3 years ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,047Jul 23, 2026Updated 2 weeks ago
- Calculation of interatomic interactions in molecular structures☆139Sep 3, 2024Updated last year
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆105Oct 6, 2020Updated 5 years ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆123Jul 28, 2026Updated 2 weeks ago
- AutoDock for GPUs and other accelerators☆606Jul 17, 2026Updated 3 weeks ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆547Feb 19, 2025Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆334Oct 6, 2025Updated 10 months ago
- A Python Package for Protein Dynamics Analysis☆554Updated this week
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆404Aug 3, 2026Updated last week
- Collected scripts for Pymol☆530Mar 1, 2026Updated 5 months ago
- ☆118Apr 17, 2023Updated 3 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆237Updated this week
- The Open Free Energy toolkit☆318Updated this week
- ☆39Jun 10, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆377May 24, 2025Updated last year
- A dependency-free cross-platform swiss army knife for PDB files.☆457Jun 10, 2026Updated 2 months ago
- An interoperable Python framework for biomolecular simulation.☆167Updated this week
- A Python library for structural cheminformatics☆111Nov 18, 2025Updated 8 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆255Sep 29, 2025Updated 10 months ago
- A Euclidean diffusion model for structure-based drug design.☆522Jun 25, 2025Updated last year
- ☆147Nov 18, 2018Updated 7 years ago