Eigenstate / dabble
Membrane protein builder and parameterizer
☆17Updated 2 months ago
Related projects ⓘ
Alternatives and complementary repositories for dabble
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 6 years ago
- Contact map analysis for biomolecules; based on MDTraj☆42Updated 4 months ago
- Collection of Python scripts to setup and run simulations with OpenMM☆14Updated 4 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 2 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- MMTSB Tool Set☆30Updated 3 weeks ago
- RF-Score-VS binary☆30Updated 6 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆57Updated 3 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆43Updated 3 years ago
- FESetup for automation of alchemical free energy simulation☆8Updated 6 years ago
- Pymol ScrIpt COllection (PSICO)☆57Updated 4 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated last year
- Tutorial to build AMBER compatable protein+lipid systems☆14Updated 7 years ago
- A collections of scripts for working molecular dynamics simulations☆40Updated 6 months ago
- Analysis of non-covalent interactions in MD trajectories☆51Updated last year
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆50Updated 3 weeks ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆25Updated 4 months ago
- a VMD plugin for binding affinity prediction using end-point free energy methods☆27Updated 8 years ago
- Model Evaluation Toolkit☆25Updated 5 years ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆41Updated 8 months ago
- Analysis of contacts in molecular dynamics trajectories☆41Updated 5 years ago
- MD pharmacophores and virtual screening☆32Updated 11 months ago
- Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling☆33Updated 2 years ago
- Functions to scrape GPCR data from the web.☆16Updated 3 years ago
- ☆17Updated 9 months ago
- Automated construction of protein chimeras and their analysis.☆15Updated last year
- ☆32Updated 3 months ago
- A software research tool for the analysis of structural communication in protein ensembles☆13Updated 2 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆40Updated 4 years ago