Development version of the pbctools plugin for VMD.
☆17Aug 19, 2025Updated last year
Alternatives and similar repositories for pbctools
Users that are interested in pbctools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Convenience functions for VMD-TCL scripting☆14Apr 3, 2026Updated 4 months ago
- Fast PBC wrapping and unwrapping for VMD☆27Nov 25, 2024Updated last year
- Python implementation of the fast rmsd and optimal rotation matrix method by Douglas Theobald and Pu Liu☆15Apr 3, 2015Updated 11 years ago
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆32Aug 5, 2026Updated 3 weeks ago
- Program for robust fitting of bonded Molecular Mechanics parameters☆15Jun 30, 2015Updated 11 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.
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- VMD plugin to calculate and visualize clusters of conformations for a trajectory☆24Oct 24, 2018Updated 7 years ago
- Config files for my GitHub profile.☆14Aug 19, 2024Updated 2 years ago
- Using neural networks for enhanced sampling in computational biophysics☆16Aug 17, 2017Updated 9 years ago
- Collective variables library for molecular simulation and analysis programs☆243Updated this week
- Python Tools for NAMD☆24May 7, 2025Updated last year
- Collection of regression tests for LAMMPS MD code☆12Sep 9, 2025Updated 11 months ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Aug 1, 2026Updated 3 weeks ago
- Python script for command-line manipulation of molecules☆22May 20, 2026Updated 3 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆25Jul 28, 2026Updated last month
- A software research tool for the analysis of structural communication in protein ensembles☆14Mar 24, 2022Updated 4 years ago
- A library for converting molecular topologies☆13May 20, 2015Updated 11 years 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
- Free energy perturbation in LAMMPS.☆23Apr 18, 2021Updated 5 years ago
- A tutorial code to perform Monte Carlo simulations of patchy particles☆12Dec 1, 2025Updated 8 months ago
- Scripts and data for OceanAdapt website to visualize shifts in marine animal distributions☆15Jul 1, 2023Updated 3 years ago
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆16Jul 20, 2018Updated 8 years ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 4 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.
- A VMD script to calculate side-chain and backbone dihedrals (torsion angles)☆14Jun 4, 2016Updated 10 years ago
- Simple (hopefuly useful) Proxy (as in the GoF design pattern) implementation for Python☆29May 6, 2014Updated 12 years ago
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- ☆11Oct 18, 2019Updated 6 years ago
- VMD plugin for manipulating topology information☆42Jun 2, 2025Updated last year
- Colorblind-friendly, perceptually uniform palettes for chimerax☆14Sep 26, 2020Updated 5 years ago
- JAVA framework for accurate SNV assessment☆12Jun 28, 2021Updated 5 years ago
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 4 years ago
- Gridder - The simple grid system based on Flexbox. Gridder's fluid grid and breakpoints enable endless combinations of column sizes, offs…☆12Sep 13, 2018Updated 7 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Useful tools written for Gaussian (an electronic structure program for computational chemistry)☆32Apr 20, 2017Updated 9 years ago
- Batch Bayesian Optimization within the Model Reification and Fusion Framework☆10Oct 8, 2021Updated 4 years ago
- Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.☆13Nov 25, 2015Updated 10 years ago
- Instructions for Building Software on Various Platforms☆17May 12, 2025Updated last year
- Real time bus location data for the Port Authority (Pittsburgh) bus system.☆21Jan 16, 2023Updated 3 years ago
- Implementation of the HTCPCP Protocol☆13Feb 3, 2013Updated 13 years ago
- RNA editing quantification in deep transcriptome data☆16Jul 17, 2025Updated last year