Convenience functions for VMD-TCL scripting
☆14Jul 16, 2025Updated 7 months ago
Alternatives and similar repositories for vmd_extensions
Users that are interested in vmd_extensions are comparing it to the libraries listed below
Sorting:
- Development version of the pbctools plugin for VMD.☆16Aug 19, 2025Updated 6 months ago
- cp2k test☆10May 26, 2019Updated 6 years ago
- A TCL code for the calculation of mass/number density of a system.☆19Jun 21, 2024Updated last year
- Adaptive sampling algorithms for molecular transitions☆25Feb 11, 2026Updated 3 weeks ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆12Jul 24, 2023Updated 2 years ago
- atomes: codeblocks dev files☆15Updated this week
- VMD plugin to calculate and visualize clusters of conformations for a trajectory☆23Oct 24, 2018Updated 7 years ago
- Fast PBC wrapping and unwrapping for VMD☆24Nov 25, 2024Updated last year
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- Force field-inspired molecular representation learning model☆22Sep 26, 2023Updated 2 years ago
- ☆11Oct 18, 2019Updated 6 years ago
- Molecular visualization for MDAnalysis with MolecularNodes in Blender☆18Mar 30, 2025Updated 11 months ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆12Dec 1, 2025Updated 3 months ago
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- ☆13Jul 17, 2025Updated 7 months ago
- Main code repository for the PLUMED-GUI plugin for VMD☆17Jan 22, 2026Updated last month
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.☆12Dec 29, 2025Updated 2 months ago
- Builder for molecular systems☆17Feb 3, 2026Updated last month
- Discontinuous Molecular Dynamics (DMD) Simulation Package☆15Mar 21, 2022Updated 3 years ago
- ☆15Jun 26, 2018Updated 7 years ago
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆21Updated this week
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆14Nov 24, 2020Updated 5 years ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆43Nov 25, 2025Updated 3 months ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆35Feb 16, 2026Updated 2 weeks ago
- Tools for creating, analyzing and visualizing Conformation Space Networks☆17Aug 31, 2022Updated 3 years ago
- Program for robust fitting of bonded Molecular Mechanics parameters☆15Jun 30, 2015Updated 10 years ago
- Using neural networks for enhanced sampling in computational biophysics☆16Aug 17, 2017Updated 8 years ago
- ☆16May 11, 2016Updated 9 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 5 years ago
- Molecular Dynamics Simulation of Alanine Dipeptide and Dihedral Angle Analysis☆19Jan 2, 2024Updated 2 years ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆19Sep 12, 2023Updated 2 years ago
- Some of useful tcl scripts to analyse data from VMD☆15Aug 2, 2022Updated 3 years ago
- ☆45Feb 17, 2026Updated 2 weeks ago
- Multiscale Simulation Tool for Backmapping☆22Feb 7, 2026Updated 3 weeks ago
- Gromacs topology template generator☆15Jul 15, 2021Updated 4 years ago
- Collective variables library for molecular simulation and analysis programs☆236Feb 26, 2026Updated last week
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆46Aug 19, 2024Updated last year