cusbg / p2rank-framework
The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc.
☆11Updated last year
Alternatives and similar repositories for p2rank-framework:
Users that are interested in p2rank-framework are comparing it to the libraries listed below
- Web application for protein-ligand binding sites analysis and visualization☆12Updated 2 weeks ago
- Cloud-based Drug Binding Structure Prediction☆37Updated last month
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 6 months ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆19Updated 5 months ago
- Code for ApoDock☆21Updated 2 weeks ago
- Official Implementation of CompassDock☆18Updated 6 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated last year
- Script to facilitate the making of horizontal scripts☆16Updated 11 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆12Updated 4 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 6 months ago
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆25Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆21Updated 2 months ago
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- ☆16Updated 6 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆21Updated 8 months ago
- A fast sampling and analysis tool for biomolecules☆16Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- ☆11Updated 3 weeks ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last month
- ☆21Updated last year
- Clusters protein chains based on CA distance difference☆14Updated 2 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆27Updated last year
- Explicit crosslinks in AlphaFold 3☆21Updated last month
- Antibody Langauge Ensemble Fusion - fuses antibody structural ensemble and language representation for property prediction☆11Updated last year
- DockCADD An automated computational framework for molecular docking☆13Updated last month
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆26Updated 4 months ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago