quantaosun / Ambertools-OpenMM-MDLinks
Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another notebook to finish the simulaiton on Colab was attached as well.
☆37Updated 9 months ago
Alternatives and similar repositories for Ambertools-OpenMM-MD
Users that are interested in Ambertools-OpenMM-MD are comparing it to the libraries listed below
Sorting:
- an integrated tool for molecular docking and virtual screening☆75Updated 7 months ago
- Analysis of contacts in molecular dynamics trajectories☆45Updated 6 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆79Updated 9 months ago
- ☆54Updated last month
- A Consensus Docking Plugin for PyMOL☆79Updated last year
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆24Updated 4 months ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 6 months ago
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆41Updated 6 years ago
- Universal framework for physically based computational protein design☆37Updated 2 years ago
- Molecular Dynamics for Experimentalists☆65Updated 2 months ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆44Updated 7 months ago
- Set of useful HADDOCK utility scripts☆57Updated 4 months ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆42Updated last year
- The code for the QuickVina homepage.☆36Updated 3 years ago
- A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.☆38Updated 2 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆74Updated 2 years ago
- MD pharmacophores and virtual screening☆34Updated 2 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated last month
- Cloud-based Drug Binding Structure Prediction☆46Updated 2 months ago
- ☆43Updated 2 years ago
- Fully automated high-throughput MD pipeline☆86Updated last week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆64Updated last month
- A collection of useful tutorials for Protein Science☆18Updated 10 years ago
- ☆22Updated 9 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 5 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 4 months ago
- Pymol ScrIpt COllection (PSICO)☆64Updated last week
- Scores for Hydrophobicity and Charges based on SASAs☆41Updated 7 months ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆51Updated 3 years ago
- ☆52Updated 3 years ago