Convenience functions for VMD-TCL scripting
☆14Apr 3, 2026Updated 6 months ago
Alternatives and similar repositories for vmd_extensions
Users that are interested in vmd_extensions are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- Development version of the pbctools plugin for VMD.☆17Aug 19, 2025Updated last year
- VMD plugin to calculate and visualize clusters of conformations for a trajectory☆25Oct 24, 2018Updated 8 years ago
- Finding a lowest-energy pathway on a multidimensional landscape☆10Aug 4, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Fast PBC wrapping and unwrapping for VMD☆29Oct 19, 2026Updated last week
- ☆28Jan 20, 2022Updated 4 years ago
- Some of useful tcl scripts to analyse data from VMD☆16Aug 2, 2022Updated 4 years ago
- A TCL code for the calculation of mass/number density of a system.☆19Jun 21, 2024Updated 2 years ago
- Jupyter Notebook showing how to plot FES, histograms and time-series data using Matplotlib.☆13Dec 21, 2020Updated 5 years ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆14Dec 1, 2025Updated 10 months ago
- Martini 3 Building Blocks for Lipid Nanoparticle Design☆28Mar 18, 2026Updated 7 months ago
- This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program ca…☆13Jul 24, 2023Updated 3 years ago
- 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
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Generates Martini models for open carbon nanotubes to use with Gromacs.☆15Nov 24, 2021Updated 4 years ago
- Collective variables library for molecular simulation and analysis programs☆243Updated this week
- Tool to compute bond and angle force field parameters with the Seminario method☆14Apr 15, 2018Updated 8 years ago
- Calculate position-dependent diffusivity functions from trajectory data (usually from molecular dynamics). The approach is described in h…☆11Mar 25, 2025Updated last year
- ☆39Dec 6, 2012Updated 13 years ago
- Program for robust fitting of bonded Molecular Mechanics parameters☆15Jun 30, 2015Updated 11 years ago
- ☆11Oct 18, 2019Updated 7 years ago
- Python Tools for NAMD☆25May 7, 2025Updated last year
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆25Jan 27, 2020Updated 6 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- atomes: codeblocks dev files☆16Oct 13, 2026Updated 2 weeks ago
- Analysis of non-covalent interactions in MD trajectories☆72Jan 3, 2025Updated last year
- Adaptive sampling algorithms for molecular transitions☆30Jun 28, 2026Updated 4 months ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- A script for analysing well tempered metadynamics☆11Apr 8, 2021Updated 5 years ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated 2 years ago
- Jupyter kernel for the Crystal language☆12Oct 23, 2023Updated 3 years ago
- A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.☆19Sep 12, 2023Updated 3 years ago
- Tools for assessing convergence of Molecular Dynamics simulations by error analysis of calculated ensemble averages and free energies☆15Jan 4, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- analyze 1D (e)ABF simulation in NAMD☆11Nov 12, 2018Updated 7 years ago
- MemSurfer is a software tool to compute bilayer membrane surfaces.☆29May 23, 2024Updated 2 years ago
- ☆10Jul 24, 2022Updated 4 years ago
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- Using neural networks for enhanced sampling in computational biophysics☆16Aug 17, 2017Updated 9 years ago
- Smooth 3D molecular descriptors from foundational ML interatomic potentials☆19Oct 6, 2026Updated 3 weeks ago
- Compare molecular structures after energy minimization in various force fields.☆11Aug 22, 2020Updated 6 years ago