haddocking / prodigy-ligLinks
Prediction of Protein-Small molecule binding affinities
☆18Updated 2 months ago
Alternatives and similar repositories for prodigy-lig
Users that are interested in prodigy-lig are comparing it to the libraries listed below
Sorting:
- KDS software for Kinase Drug Selectivity☆11Updated 2 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Updated 5 years ago
- MEGADOCK on Google Colaboratory☆20Updated 2 years ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated last year
- ☆12Updated last year
- A program analyzing 3D protein structures from PDB to generate 2D binding motifs☆15Updated 4 years ago
- An improved method for predicting toxicity of the peptides and designing of non-toxic peptides☆18Updated 6 months ago
- a protein descriptor for site prediction☆16Updated 6 years ago
- ☆18Updated last year
- Peptide Virtual Screening Pipeline☆11Updated 6 years ago
- Paper for release☆11Updated 4 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆35Updated 2 years ago
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆19Updated last year
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 4 years ago
- Repository of all EJP lab computational projects☆14Updated 2 weeks ago
- Structural space exploration of AlphaFold DB☆12Updated 4 years ago
- PCA and normal mode analysis of proteins☆19Updated last year
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆14Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- ☆13Updated 4 years ago
- [Bioinformatics 2025] Official implementation of the paper "ParaSurf: A Surface-Based Deep Learning Approach for Paratope-Antigen Interac…☆25Updated 2 months ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 8 months ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- ESM-driven Pocket Cross Similarity☆15Updated 4 months ago
- ☆14Updated 3 years ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- ☆21Updated 6 months ago
- ☆10Updated 7 months ago
- ☆18Updated 9 months ago