GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
☆32Jan 23, 2026Updated 2 months ago
Alternatives and similar repositories for GridDataFormats
Users that are interested in GridDataFormats are comparing it to the libraries listed below
Sorting:
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 3 years ago
- Development version of the pbctools plugin for VMD.☆16Aug 19, 2025Updated 7 months ago
- Program to find drug-like RNA-ligand binding pockets.☆24Updated this week
- ☆11Oct 18, 2019Updated 6 years ago
- ☆19Feb 6, 2017Updated 9 years ago
- Experimental small molecule hydration free energy dataset☆31Mar 29, 2022Updated 3 years ago
- A Python package to compute and analyze transport properties.☆16Jul 27, 2025Updated 7 months ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- LOOS: a lightweight object-oriented structure analysis library☆128Updated this week
- Fast PBC wrapping and unwrapping for VMD☆24Nov 25, 2024Updated last year
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- Source code for HOLE program.☆39Aug 15, 2024Updated last year
- all in one GUI software for data analysis and visualization☆14May 8, 2025Updated 10 months ago
- A GUI program for plotting Minimal energy path on potential energy surface.☆42Jan 18, 2021Updated 5 years ago
- 3D molecular structure generation for MD simulation☆10Apr 29, 2020Updated 5 years ago
- Examples of applications of pymbar to various problems in simulation and experiment☆23Jan 16, 2015Updated 11 years ago
- A pocket volume analyzer for use in protein modeling.☆59Oct 2, 2022Updated 3 years ago
- ☆27Jan 20, 2022Updated 4 years ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆28May 2, 2020Updated 5 years ago
- Universal system for creating plain text wiki links to nvALT notes☆23Nov 19, 2012Updated 13 years ago
- The App Store for VMD extensions.☆14Jan 14, 2023Updated 3 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 7 months ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Jul 3, 2025Updated 8 months ago
- Membrane protein builder and parameterizer☆19Sep 1, 2024Updated last year
- OpenMM testbed for constant-pH methodologies.☆24Sep 20, 2021Updated 4 years ago
- Tools for preparation and analysis of systems for molecular dynamics.☆31Dec 5, 2025Updated 3 months ago
- ☆10May 22, 2024Updated last year
- Density based object completion over PBC.☆30Dec 10, 2024Updated last year
- GUI for controlling NI DAQ devices and monitoring output/input voltages, current, and other variables☆14Sep 26, 2022Updated 3 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆13Dec 7, 2021Updated 4 years ago
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆40Nov 2, 2022Updated 3 years ago
- ☆12Mar 28, 2025Updated 11 months ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆81Updated this week
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- Convenience functions for VMD-TCL scripting☆14Jul 16, 2025Updated 8 months ago
- Automatic MARTINI parametrization of small organic molecules☆73May 28, 2025Updated 9 months ago
- Tachyon library, written by John Stone☆14Sep 5, 2019Updated 6 years ago
- A VMD script to calculate side-chain and backbone dihedrals (torsion angles)☆14Jun 4, 2016Updated 9 years ago
- Inpainting protein sequence and structure☆12Nov 10, 2023Updated 2 years ago