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:
- Molecular simulation toolkit☆20Sep 17, 2025Updated 7 months ago
- ☆12Jul 22, 2025Updated 9 months ago
- High level API for using machine learning models in OpenMM simulations☆163Updated this week
- MBX is an energy and force calculator for data-driven many-body simulations.☆48Apr 9, 2026Updated 3 weeks ago
- OpenMM plugin for simulating electrochemical systems☆22Sep 23, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 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
- 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++ Library for Electrostatics☆20Sep 19, 2025Updated 7 months ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 9 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 4 years ago
- High-performance operations for neural network potentials☆102Feb 4, 2026Updated 3 months ago
- Topoly Python test package☆10Sep 8, 2025Updated 7 months ago
- ☆13Feb 18, 2025Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- An open source Python framework for transition interface and path sampling calculations.☆116Mar 23, 2026Updated last month
- TorchMD-NET. This is a simple code to train Schnet using pytorch-lighthing.☆11Nov 10, 2021Updated 4 years ago
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Jun 27, 2017Updated 8 years ago
- ☆13Feb 20, 2024Updated 2 years ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆101Feb 11, 2025Updated last year
- ☆17Jun 12, 2022Updated 3 years ago
- Open Source Exascale Quantum Chemistry Software☆32Apr 12, 2026Updated 3 weeks ago
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Tinker: Software Tools for Molecular Design☆163Apr 20, 2026Updated 2 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Molecular structure optimizer☆130Dec 17, 2022Updated 3 years ago
- Poltype 2: Automated Parameterization for AMOEBA☆52Apr 12, 2026Updated 3 weeks ago
- An example of how to write a plugin for OpenMM☆31Jan 25, 2024Updated 2 years ago
- ☆15Sep 5, 2025Updated 8 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆61Apr 7, 2026Updated 3 weeks ago
- ☆52Jul 16, 2025Updated 9 months ago
- Collection of small examples for running on ALCF resources☆21Updated this week
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆11Mar 22, 2024Updated 2 years ago
- ☆34Feb 2, 2026Updated 3 months 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.
- The Research Software Engineer community projects☆11Apr 13, 2025Updated last year
- A library that enables code interoperability via the MolSSI Driver Interface.☆35Apr 10, 2026Updated 3 weeks ago
- A molecular integral code generator☆12Feb 7, 2016Updated 10 years ago
- Build neural networks for machine learning force fields with JAX☆136Jun 2, 2025Updated 11 months ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Apr 27, 2023Updated 3 years ago
- Multi-language library for the calculation of spherical harmonics in Cartesian coordinates☆96Updated this week
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆65Updated this week