Main repository for METAGUI3
☆20Jun 19, 2021Updated 4 years ago
Alternatives and similar repositories for metagui3
Users that are interested in metagui3 are comparing it to the libraries listed below
Sorting:
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated last month
- Repository of the data for PLUMED Masterclass 22.3☆14Jul 10, 2024Updated last year
- Automatic CHARMM-GUI browser interaction with Python☆18Mar 20, 2023Updated 2 years ago
- Get access to our MD data files.☆31Nov 22, 2023Updated 2 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Sep 2, 2022Updated 3 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 5 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- For the purpose of post progressing of MD carried by gromacs☆23Jul 2, 2025Updated 8 months ago
- Package for reading, analysis and visualization of metadynamics HILLS☆39Nov 28, 2023Updated 2 years ago
- Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"☆21Jun 6, 2024Updated last year
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 3 weeks ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated last year
- Coarse-grained simulations of biomolecular complexes☆13Aug 2, 2023Updated 2 years ago
- Software Suite for Advanced General Ensemble Simulations☆90Feb 24, 2023Updated 3 years ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆32Dec 18, 2025Updated 2 months ago
- ☆21Dec 11, 2024Updated last year
- C++ Accelerated Python Diffusion Maps Library☆23Aug 28, 2018Updated 7 years ago
- Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)☆45May 3, 2020Updated 5 years ago
- ☆30May 31, 2023Updated 2 years ago
- Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)☆11Dec 1, 2025Updated 3 months ago
- ☆12Mar 26, 2020Updated 5 years ago
- An efficient, multithreaded weighted histogram analysis (WHAM) implementation for the post-processing of umbrella MD simulations.☆28Apr 1, 2024Updated last year
- Best Practices article intended for LiveCoMS☆42Dec 17, 2019Updated 6 years ago
- Collective variables library for molecular simulation and analysis programs☆236Feb 26, 2026Updated last week
- The DSSP building software☆50Aug 7, 2023Updated 2 years ago
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆48Sep 30, 2024Updated last year
- Precompiled Windows binaries for GROMACS☆11May 10, 2022Updated 3 years ago
- Generate Ramachandran plots for single PDB structure and as heatmap for MD trajectory☆11Apr 6, 2022Updated 3 years ago
- Learning with Data on Riemannian Manifolds☆11Sep 26, 2025Updated 5 months ago
- ☆11Oct 25, 2023Updated 2 years ago
- The integrated tempering sampling as a bias in PLUMED2☆11Jan 15, 2021Updated 5 years ago
- A bash script for an automated Rosetta Abinitio folding simulation on an HPC☆11Aug 29, 2020Updated 5 years ago
- Accelerated sampling framework with autoencoder-based method☆23Sep 7, 2019Updated 6 years ago
- Using supervised machine learning to build collective variables for accelerated sampling☆28Jun 26, 2018Updated 7 years ago
- PyEMMA Jupyter Notebooks☆14Jan 28, 2021Updated 5 years ago
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- ☆13Jul 17, 2025Updated 7 months ago
- Data files for the molecular modelling course☆13Jan 26, 2024Updated 2 years ago