Fork of library used in reading xtc files from GROMACS simulations
☆14Mar 9, 2017Updated 9 years ago
Alternatives and similar repositories for libxdrfile
Users that are interested in libxdrfile are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Modern Fortran toolkit for analyzing GROMACS simulations☆14Oct 3, 2020Updated 6 years ago
- Supernova's MM-PBSA binding free energy calculation tool.☆14Sep 29, 2026Updated last week
- Temperature generator for Replica Exchange MD simulations☆30Dec 14, 2022Updated 3 years ago
- Precompiled Windows binaries for GROMACS☆12May 10, 2022Updated 4 years ago
- Special functions☆20Aug 8, 2026Updated 2 months 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.
- The pDynamo molecular modeling and simulation program☆50Nov 24, 2025Updated 10 months ago
- C++ toolkit for use in reading in and analyzing Gromacs files☆13Oct 3, 2020Updated 6 years ago
- A set of tools for analyzing molecular dynamics simulations☆13Updated this week
- This is a plugin for UE4 to triangulate an implicit surface.☆16Nov 23, 2017Updated 8 years ago
- Grace (xmgrace) plotting tool☆14May 25, 2017Updated 9 years ago
- An interpreter for the While language written in Haskell☆14Mar 26, 2020Updated 6 years ago
- Main repository for METAGUI3☆22Jun 19, 2021Updated 5 years ago
- Mirror of pDynamo computational chemistry software, which does not currently use a public version control repository☆10Feb 23, 2017Updated 9 years ago
- High performance ML in pure Python☆12Dec 8, 2022Updated 3 years 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.
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆69Apr 16, 2021Updated 5 years ago
- package to generate relative rotational positions and orientations of two molecular structures☆17Jun 15, 2026Updated 3 months ago
- An incomplete ZMachine interpreter written in C#☆10Jun 21, 2025Updated last year
- Snap package for qBittorrent☆10Jul 22, 2024Updated 2 years ago
- Repository containing scripts and analysis for ML-Guided Acyl-ACP Reductase Engineering paper☆11Nov 21, 2023Updated 2 years ago
- Cadishi: CAlculation of DIStance HIstograms☆16Sep 16, 2020Updated 6 years ago
- Interface for Non-Adiabatic Quantum mechanics/molecular mechanics in Solvent☆10Feb 10, 2026Updated 7 months ago
- [WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility☆11Aug 8, 2023Updated 3 years ago
- ESP8266-based C64 datasette emulator☆15Aug 23, 2017Updated 9 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter n…☆27Oct 19, 2022Updated 3 years ago
- A Go filesystem package for working with files and directories☆19May 15, 2021Updated 5 years ago
- A lightweight C++11 Monte Carlo molecular simulation engine☆10Aug 1, 2017Updated 9 years ago
- Please use OFFICIAL repo: https://github.com/alanwilter/acpype☆13Dec 30, 2019Updated 6 years ago
- No description yet.☆19Aug 8, 2024Updated 2 years ago
- An efficient, multithreaded weighted histogram analysis (WHAM) implementation for the post-processing of umbrella MD simulations.☆30Apr 1, 2024Updated 2 years ago
- ☆14Sep 29, 2021Updated 5 years ago
- Applied Numerical Computing Course☆33May 6, 2025Updated last year
- 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
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Static analysis of MSIL based on the analysis-net infrastructure☆20Sep 23, 2022Updated 4 years ago
- Physics Informed Neural Networks (PINNs) code to solve the 3D Poisson-Boltzmann equation.☆17Mar 31, 2025Updated last year
- Julia High Performance☆24Jun 13, 2019Updated 7 years ago
- QM/MM Study Group☆15Jan 22, 2019Updated 7 years ago
- Trusted force field files for gromacs☆74Oct 31, 2024Updated last year
- A Commodore 64 demo with scrolltext and bitmap for internal talk on tretton37.☆12Mar 20, 2018Updated 8 years ago
- A new approach to randomness testing☆12Nov 27, 2016Updated 9 years ago