Compute dynamic properties of chemical systems using ring polymer molecular dynamics simulations
☆11Mar 21, 2013Updated 13 years ago
Alternatives and similar repositories for RPMDrate
Users that are interested in RPMDrate are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RPMD and rate constant calculations on black-box and machine-learning potential energy surfaces☆17Sep 15, 2026Updated 3 weeks ago
- ☆13Apr 11, 2019Updated 7 years ago
- In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(…☆12Dec 31, 2017Updated 8 years ago
- A fortran module for SHA-256 hashing.☆11Apr 16, 2014Updated 12 years ago
- A general purpose library to study vibrational problems using diffusion monte carlo☆17May 21, 2026Updated 4 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- YAJL-Fort: A modern Fortran interface to the YAJL library☆11Oct 1, 2025Updated last year
- A module to handle grid/points definition, interpolation mapping and subsetting.☆10Mar 19, 2024Updated 2 years ago
- Theoretical ROVibrational Energies: A variational program for accurate nuclear motion calculations☆21Oct 1, 2026Updated last week
- Neutrino research☆11May 3, 2022Updated 4 years ago
- Example of Calling Lua from Fortran☆10Jun 22, 2015Updated 11 years ago
- Fortran bindings to the CGAL library to query whether a point is inside of a polyhedron and their distance.☆12Nov 23, 2023Updated 2 years ago
- OpenMM plugin to define forces with neural networks☆31Jan 9, 2020Updated 6 years ago
- Pirate Trading Platform: Open source automated trading based on algorithmic market evaluation☆13Sep 25, 2017Updated 9 years ago
- Experimental skia bindings☆12Apr 25, 2015Updated 11 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.
- Inputs and hand-outs for a PIMD tutorial based on i-PI☆15Jun 29, 2018Updated 8 years ago
- Uncertainty propagation tool using both Gauss formula and monte carlo method.☆19Sep 8, 2026Updated last month
- Object Oriented Fortran Library☆15Aug 24, 2015Updated 11 years ago
- ☆12Jun 8, 2025Updated last year
- A Clojure library for deconstructing Korean unicode syllable characters into alphabet characters☆10Nov 22, 2021Updated 4 years ago
- librjmcmc is a library for stochastic optimization based on reversible jump monte carlo markov chains coupled with simulated annealing.☆19Jan 18, 2017Updated 9 years ago
- Chemical perception tree automated exploration tool.☆20Aug 14, 2018Updated 8 years ago
- ☆15May 19, 2023Updated 3 years ago
- ☆13Aug 5, 2025Updated last year
- 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.
- Video import and export in Mathematica using Media Foundation☆11Aug 2, 2014Updated 12 years ago
- Polymorphic container object for Fortran☆17Dec 25, 2015Updated 10 years ago
- Streaming polyphase DSP filters with sample rate conversion.☆19Oct 9, 2014Updated 12 years ago
- Matplotlib personality wrapper for PlPlot in Fortran☆13Dec 1, 2015Updated 10 years ago
- SimplySQS: An interactive interface for preparing and analyzing files for generation of special quasirandom structures (SQSs) using ATAT …☆22Updated this week
- Data Smashing☆13Oct 9, 2014Updated 12 years ago
- Quantum simulations of nonlinear spectroscopy and dynamics for molecular aggregates☆18Nov 13, 2021Updated 4 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.☆21Sep 20, 2021Updated 5 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.
- Example repo for uploading reports to Codecov☆22May 22, 2026Updated 4 months ago
- [Talk] How to look like a statistician: a developer's guide to probabilistic programming☆10Sep 18, 2018Updated 8 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 8 years ago
- Fortran 2008 utility functions and reusable classes☆21Aug 25, 2026Updated last month
- 系外行星☆16Mar 3, 2018Updated 8 years ago
- XML modules for Fortran based on Arjen Markus' project☆20Apr 9, 2013Updated 13 years ago
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆27Apr 17, 2025Updated last year