☆10Jul 11, 2021Updated 5 years ago
Alternatives and similar repositories for mkvsites
Users that are interested in mkvsites are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) calculations in protein-protein and protein-ligand systems☆11Mar 30, 2022Updated 4 years ago
- Pharmacon: A Molecular Dynamics Analysis Toolkit☆25Oct 5, 2026Updated 2 weeks ago
- Python implementation of Dynamical Network Analysis☆16Aug 6, 2025Updated last year
- Parallelizable Gaussian Accelerated Molecular Dynamics☆11Mar 20, 2026Updated 7 months ago
- a python package to analyze short molecular dynamics simulations for the effect of point mutations on stability☆14Aug 18, 2026Updated 2 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- some generic (but hopefully still useful) recommendations on writing your thesis☆11Mar 24, 2023Updated 3 years ago
- cryo_fit1 source codes, test files, live at .../phenix-xxxx/modules☆10Mar 25, 2022Updated 4 years ago
- Enabling energy landscape exploration of proteins☆10Dec 6, 2023Updated 2 years ago
- ☆14Jan 28, 2026Updated 8 months ago
- The Inaugural Flatiron Institute Cryo-EM Heterogeneity Community Challenge☆12Oct 9, 2026Updated last week
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- A Matlab implementation of the Hierarchical Equations of Motion (HEOM) method for modelling open system quantum dynamics.☆11Jun 4, 2025Updated last year
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Deep Boosted Molecular Dynamics☆13Aug 27, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- GPU accelerating computing for Bayesian inference of electron microscopy images. BioEM is a publicly available software that enables the …☆13Apr 7, 2023Updated 3 years ago
- Examples of applications of pymbar to various problems in simulation and experiment☆24Jan 16, 2015Updated 11 years ago
- ☆13Mar 21, 2021Updated 5 years ago
- Force fields in various formats☆28May 2, 2024Updated 2 years ago
- Rethinking Metadynamics: From Bias Potentials to Probability Distributions☆15Sep 18, 2023Updated 3 years ago
- EnzyDock: Protein–Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes☆18Sep 5, 2024Updated 2 years ago
- use interpretable machine learning to explain chemical reactions☆13Oct 9, 2021Updated 5 years ago
- ☆11Aug 30, 2020Updated 6 years ago
- A tool to create molecule structures from topology information (GROMACS-only)☆11Feb 23, 2026Updated 7 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆13Jun 10, 2024Updated 2 years ago
- ☆17Jan 13, 2026Updated 9 months ago
- ☆29Feb 25, 2022Updated 4 years ago
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆20Jul 11, 2024Updated 2 years ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 3 years ago
- ☆23Dec 11, 2024Updated last year
- Python implementation of the umbrella integration method for potential of mean force (PMF) calculations☆17Feb 4, 2019Updated 7 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆29Feb 4, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python package for determination of conformational continua of macromolecules from single-particle cryo-EM data☆16Oct 8, 2026Updated 2 weeks ago
- Random Acceleration Molecular Dynamics in GROMACS☆46Sep 7, 2026Updated last month
- A simple cyclic voltammetry simulator, built as a MATLAB app. Based on Appendix B in Bard & Faulkner.☆14Sep 13, 2021Updated 5 years ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- An engine for electrostatic ML embedding for multiscale modelling.☆31Oct 6, 2026Updated 2 weeks ago
- NAMD-xtb-QMMM-interface☆13Jul 21, 2020Updated 6 years ago
- A python implementation of the string method with swarms of trajectories using GROMACS☆21Oct 19, 2022Updated 4 years ago