willfinnigan / kineticsLinks
Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions
☆31Updated 3 months ago
Alternatives and similar repositories for kinetics
Users that are interested in kinetics are comparing it to the libraries listed below
Sorting:
- LiveCoMS GROMACS Tutorials Paper☆128Updated 6 years ago
- LOOS: a lightweight object-oriented structure analysis library☆125Updated last week
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆115Updated 6 years ago
- Catalog of Open Source Molecular Modeling Projects☆106Updated 8 months ago
- GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).☆179Updated last month
- Python interface of cpptraj☆184Updated 8 months ago
- Sire Molecular Simulations Framework☆96Updated 2 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆66Updated last year
- Software for biomolecular electrostatics and solvation calculations☆112Updated last year
- Describe and apply transformation on molecular structures and topologies☆123Updated 2 weeks ago
- ☆125Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆66Updated 4 years ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆82Updated last month
- ☆128Updated 9 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆61Updated last year
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆207Updated last week
- OpenMM tutorial for the MSBS course☆176Updated last week
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆144Updated 8 months ago
- Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates☆168Updated last month
- ☆56Updated 2 years ago
- C-library for calculating Solvent Accessible Surface Areas☆160Updated 3 months ago
- ☆91Updated 3 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- python program for analyzing isothermal titration calorimetry data☆29Updated 6 years ago
- Code and resources for the EPSRC BioSimSpace project.☆78Updated last month
- Installable VMD as a python module☆147Updated 4 months ago
- Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…☆109Updated 3 months ago
- A Python library for structural cheminformatics☆102Updated 5 months ago
- Python Tools for NAMD☆21Updated 5 months ago