inpacdb / PepVisLinks
Peptide Virtual Screening Pipeline
☆12Updated 6 years ago
Alternatives and similar repositories for PepVis
Users that are interested in PepVis are comparing it to the libraries listed below
Sorting:
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Updated 3 years ago
- MEGADOCK on Google Colaboratory☆20Updated 2 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 4 years ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆28Updated 2 weeks ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆20Updated last year
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- development repository for PyInteraph2☆22Updated 9 months ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆26Updated 2 years ago
- Code for peptide ligand design with machine learning models.☆28Updated last year
- For the purpose of post progressing of MD carried by gromacs☆22Updated 5 months ago
- ☆22Updated 8 months ago
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆17Updated 10 months ago
- A unified and modular interface to homology modelling software☆11Updated 2 years ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆14Updated 3 months ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆20Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Updated last year
- Benchmarking active learning protocols for ligand binding affinity prediction☆12Updated last year
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Updated last year
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 3 months ago
- Code for ApoDock☆21Updated 8 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 5 months ago
- ☆18Updated last year
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆17Updated last year
- ☆15Updated 3 months ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Updated 2 years ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Updated 5 months ago
- ☆21Updated 7 months ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 5 years ago