LBC-LNBio / parKVFinder-winLinks
parKVFinder-win: thread-level parallel KVFinder for Windows
☆10Updated last year
Alternatives and similar repositories for parKVFinder-win
Users that are interested in parKVFinder-win are comparing it to the libraries listed below
Sorting:
- parKVFinder: thread-level parallel KVFinder☆15Updated 7 months ago
- The code for the QuickVina homepage.☆36Updated 3 years ago
- calculating RMSD between 2 conformers with different atom names☆14Updated 4 years ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 6 years ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Updated last year
- pyKVFinder: Python-C parallel KVFinder☆29Updated last week
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- Automated construction of protein chimeras and their analysis.☆15Updated 2 years ago
- Open-source online virtual screening tools for large databases☆34Updated 2 weeks ago
- Analysis of contacts in molecular dynamics trajectories☆44Updated 6 years ago
- gromacs(Protein-Ligand Complex)☆11Updated 3 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last week
- Computational Chemistry Workflows☆56Updated 3 years ago
- ☆32Updated 7 months ago
- AutoDock CrankPep for peptide and disordered protein docking☆53Updated last month
- ☆18Updated 4 years ago
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆13Updated 11 months ago
- Tools, tutorials, and wiki for GROMACS☆20Updated 5 years ago
- model builder for molecular dynamics simulations☆16Updated 2 years ago
- Fully automated high-throughput MD pipeline☆85Updated 3 months ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Updated 3 months ago
- ☆14Updated 5 months ago
- ☆20Updated last week
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆62Updated 2 weeks ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Updated 4 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆55Updated last month
- RF-Score-VS binary☆31Updated 7 years ago
- A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations☆13Updated 2 years ago