☆13Apr 11, 2018Updated 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 implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated last year
- A software research tool for the analysis of structural communication in protein ensembles☆14Mar 24, 2022Updated 3 years ago
- Computation of the drug-target relative residence times from RAMD simulations☆21Aug 29, 2024Updated last year
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 4 years ago
- Django based chemical database/inventory☆18Feb 20, 2014Updated 12 years ago
- Building and analyzing residue interaction networks with cofactors (includes tutorial).☆18Mar 31, 2021Updated 4 years ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Jul 25, 2025Updated 7 months ago
- ☆16Jul 26, 2024Updated last year
- Some GROMACS tutorials using methane and water☆15Dec 7, 2016Updated 9 years ago
- Predict allosteric pockets on proteins☆15Mar 28, 2022Updated 3 years ago
- PCA and normal mode analysis of proteins☆20May 16, 2024Updated last year
- A collection of molecular modelling tools for UCSF Chimera☆17Mar 26, 2019Updated 6 years ago
- The code for the QuickVina homepage.☆36Nov 7, 2022Updated 3 years ago
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- Python script that creates 2D protein-ligand interaction images☆14Apr 23, 2018Updated 7 years ago
- Python based scripts for D3R grand challenge 2 analysis☆16Apr 25, 2017Updated 8 years ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Oct 11, 2021Updated 4 years ago
- A pocket volume analyzer for use in protein modeling.☆59Oct 2, 2022Updated 3 years ago
- Personal Notes☆23Updated this week
- hyb: a bioinformatics pipeline for the analysis of CLASH (crosslinking, ligation and sequencing of hybrids) data☆13Jul 12, 2024Updated last year
- A wxPython graphical interface for the PyRosetta and Rosetta protein modeling suites☆29May 23, 2018Updated 7 years ago
- Metabolomics And Dereplication By Two-dimensional Experiments - MADByTE NMR Metabolomics Platform☆12Jul 23, 2025Updated 7 months ago
- Bayesian Logistic Regression with Hyper-LASSO priors☆10Dec 14, 2025Updated 2 months ago
- Autodock/Vina plugin for PyMol by Daniel Seeliger☆28Oct 23, 2017Updated 8 years ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated last year
- MDplot: Visualise Molecular Dynamics☆30Mar 23, 2022Updated 3 years ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Jan 22, 2026Updated last month
- RosettaDesign using PyRosetta☆33Aug 22, 2019Updated 6 years ago
- Computational Analysis of Novel Drug Opportunities☆40Jan 9, 2026Updated last month
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆83Feb 28, 2025Updated last year
- Python module for identification of conserved water molecules from molecular dynamics trajectories.☆14Feb 12, 2026Updated 3 weeks ago
- Collected scripts for Pymol☆10Mar 18, 2015Updated 10 years ago
- Introduction to Python3☆11Oct 26, 2020Updated 5 years ago
- python支付宝支付案例☆10Mar 8, 2018Updated 7 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 3 years ago
- EvoEF + evolutionary profile for ddG_bind prediction☆14Oct 17, 2025Updated 4 months ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated last year
- Labs from An Introduction to Statistical Learning☆10Apr 17, 2018Updated 7 years ago