hiteshpatel379 / PyWATERLinks
☆13Updated 7 years ago
Alternatives and similar repositories for PyWATER
Users that are interested in PyWATER are comparing it to the libraries listed below
Sorting:
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- PCA and normal mode analysis of proteins☆18Updated last year
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 6 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- The code for the QuickVina homepage.☆35Updated 3 years ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- Personal Notes☆23Updated 4 months ago
- GaudiMM: A modular optimization platform for molecular design☆32Updated last year
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Updated 4 years ago
- ☆31Updated 7 months ago
- MMTSB Tool Set☆32Updated 2 months ago
- Autodock/Vina plugin for PyMol by Daniel Seeliger☆28Updated 8 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- 2018 RDKit UGM☆14Updated 7 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Updated 7 years ago
- MD pharmacophores and virtual screening☆34Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Updated last year
- Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…☆22Updated last year
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆17Updated 4 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 3 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Updated 2 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Updated 9 months ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated last month
- Flexible Artificial Intelligence Docking☆17Updated 2 months ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆17Updated 2 years ago