bioinfkaustin / gromacs-on-colabLinks
Google Colab notebooks for running molecular dynamics simulations with GROMACS
☆41Updated 2 years ago
Alternatives and similar repositories for gromacs-on-colab
Users that are interested in gromacs-on-colab are comparing it to the libraries listed below
Sorting:
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 3 months ago
- Material from papers from KULL centre☆69Updated last year
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆29Updated this week
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆23Updated last year
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆61Updated 3 weeks ago
- MD pharmacophores and virtual screening☆33Updated last year
- Molecular Dynamics for Experimentalists☆63Updated last week
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆31Updated last month
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Updated last month
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆41Updated last month
- development repository for PyInteraph2☆23Updated 6 months ago
- A Consensus Docking Plugin for PyMOL☆76Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆73Updated 6 months ago
- Fully automated high-throughput MD pipeline☆79Updated last month
- ☆34Updated 11 months ago
- The Vini in silico model of cancer☆12Updated 5 months ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆51Updated 2 months ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 4 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆71Updated 2 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- ☆30Updated 2 years ago
- Quick mapping of Uniprot sequences to PDB structures☆34Updated 6 months ago
- ☆96Updated 7 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆37Updated 3 months ago
- ☆21Updated 9 months ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆82Updated 3 weeks ago
- ☆70Updated last year
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆22Updated 3 years ago