helPME: an efficient library for particle mesh Ewald
☆31Feb 28, 2022Updated 4 years ago
Alternatives and similar repositories for helpme
Users that are interested in helpme are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Jul 22, 2025Updated last year
- Molecular simulation toolkit☆20Jun 6, 2026Updated last month
- MBX is an energy and force calculator for data-driven many-body simulations.☆49Updated this week
- High level API for using machine learning models in OpenMM simulations☆176Jul 17, 2026Updated last week
- OpenMM plugin for simulating electrochemical systems☆22Sep 23, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Genetic Algorithm (GA) program for optimizing the parameters of a polarizable force field based on the AMOEBA functional form☆13Jul 27, 2018Updated 7 years ago
- C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces. Moved to https://git.sr.ht/~jmbr/libpme6☆18Oct 11, 2017Updated 8 years ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 10 years ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- A flexible, templated GPU library of neighbor search algorithms.☆11Jul 22, 2021Updated 5 years ago
- Topoly Python test package☆10Sep 8, 2025Updated 10 months ago
- High-performance operations for neural network potentials☆102Jun 9, 2026Updated last month
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Jun 27, 2017Updated 9 years ago
- ☆13Feb 18, 2025Updated last year
- 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.
- C++ Library for Electrostatics☆20Sep 19, 2025Updated 10 months ago
- An open source Python framework for transition interface and path sampling calculations.☆117Jun 6, 2026Updated last month
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago
- ☆17Jun 12, 2022Updated 4 years ago
- Poltype 2: Automated Parameterization for AMOEBA☆51Jun 3, 2026Updated last month
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆109Feb 11, 2025Updated last year
- Open Source Exascale Quantum Chemistry Software☆34Jun 25, 2026Updated 3 weeks ago
- ☆13Feb 20, 2024Updated 2 years ago
- Tinker: Software Tools for Molecular Design