AspirinCode / iPPIGANLinks
De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors
☆21Updated last year
Alternatives and similar repositories for iPPIGAN
Users that are interested in iPPIGAN are comparing it to the libraries listed below
Sorting:
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆21Updated 3 months ago
- Code for ApoDock☆21Updated 9 months ago
- ☆22Updated 3 years ago
- MEGADOCK on Google Colaboratory☆20Updated 2 years ago
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆21Updated 2 years ago
- ☆21Updated 2 years ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 4 months ago
- Extract the PAE & pLDDT value of Alphafold2 from .pkl to .png, .csv & .pdb file.☆22Updated 4 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Updated 6 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 9 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- Some scripts that I keep using over and over.☆21Updated 6 months ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆26Updated 2 years ago
- Peptide Virtual Screening Pipeline☆12Updated 6 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated last year
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Updated last year
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆28Updated last month
- Cloud-based Drug Binding Structure Prediction☆46Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- ☆22Updated 9 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- MD pharmacophores and virtual screening☆34Updated 2 years ago
- ☆15Updated 3 months ago
- ☆21Updated last year
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated last month
- PyPEF – Pythonic Protein Engineering Framework☆25Updated 3 months ago
- Modeling the effects of mutations in proteins using PyRosetta☆27Updated 7 years ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 6 months ago