Dankem / pyGROMODS
Python based Graphical User Interface for generating input files for and running molecular dynamic simulation.
☆10Updated 8 months ago
Alternatives and similar repositories for pyGROMODS:
Users that are interested in pyGROMODS are comparing it to the libraries listed below
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- ☆28Updated last year
- Software package for FEP☆18Updated 9 months ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆23Updated last month
- ☆32Updated last year
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆25Updated last year
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆21Updated 8 months ago
- MMTSB Tool Set☆31Updated 6 months ago
- ☆15Updated 6 years ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆26Updated 3 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- Tools to build coarse grained models and perform simulations with OpenMM☆23Updated 2 years ago
- Some scripts that I keep using over and over.☆18Updated 4 months ago
- A fast sampling and analysis tool for biomolecules☆16Updated 3 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆18Updated last month
- ☆18Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Updated 5 years ago
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆14Updated 2 months ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆22Updated 2 years ago
- Building more accurate protein structures from backbone torsion angles☆14Updated last month
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆12Updated 2 months ago
- GUI for interactive graph-based analyses of hydrogen bond networks in crystal structures and MD trajectories.☆9Updated 2 years ago
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆36Updated 9 months ago
- ☆25Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆12Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 7 months ago
- Workshop - Analysis of Molecular Dynamics Simulation Using Python☆17Updated 4 years ago
- ☆8Updated 6 years ago
- A python implementation of pdb2oniom for QM/MM (ONIOM) calculations☆10Updated 11 months ago