tubiana / protocolGromacsLinks
Automatic gromacs protocol from preparation to production with ligand parametrization through
☆68Updated 2 months ago
Alternatives and similar repositories for protocolGromacs
Users that are interested in protocolGromacs are comparing it to the libraries listed below
Sorting:
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆46Updated 5 months ago
- ☆48Updated 2 years ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆25Updated last week
- A Consensus Docking Plugin for PyMOL☆73Updated 11 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month
- Fully automated high-throughput MD pipeline☆60Updated 3 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆33Updated last year
- ☆89Updated 3 months ago
- Analysis of alphafold and colabfold results☆27Updated 2 weeks ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆65Updated 5 months ago
- Analysis of contacts in molecular dynamics trajectories☆42Updated 5 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- Ligand-Protein Interaction Mapping☆53Updated last month
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆19Updated 10 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆47Updated 4 months ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Molecular Dynamics for Experimentalists☆57Updated this week
- Set of useful HADDOCK utility scripts☆52Updated 9 months ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆66Updated 2 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated 2 weeks ago
- PyDock Tutorial☆32Updated 6 years ago
- AutoDock CrankPep for peptide and disordered protein docking☆50Updated 4 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆69Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 2 months ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆77Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆69Updated 4 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆119Updated 2 years ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆59Updated 7 months ago