☆13Mar 5, 2024Updated 2 years ago
Alternatives and similar repositories for lammps-rbe
Users that are interested in lammps-rbe are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆16Jan 9, 2025Updated last year
- ☆15Jul 7, 2026Updated 3 months ago
- ☆18Jun 12, 2022Updated 4 years ago
- Special function benchmarks☆13Feb 22, 2024Updated 2 years ago
- Scripts for building binary release bundle for Linux and Mac.☆11Feb 12, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A collection of scripts for producing and analyzing simulations, for computational materials science.☆11Jun 10, 2015Updated 11 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆16Updated this week
- ☆13Jul 19, 2020Updated 6 years ago
- materials for CCP5 summer school☆17Jul 22, 2026Updated 3 months ago
- Tools for performing vibrational analysis on molecular systems.☆21Sep 15, 2023Updated 3 years ago
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆11Sep 18, 2021Updated 5 years ago
- Python tools for working with LAMMPS files☆16Updated this week
- LamNet: an Alchemical-Path-Aware Graph Neural Network to Accelerate Binding Free Energy Calculation☆14Jul 10, 2025Updated last year
- 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.
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 11 years ago
- For advanced physics-driven combined with neural network enhancement force field.☆19Mar 9, 2026Updated 7 months ago
- An efficient method for the conversion from internal to Cartesian coordinates that utilizes the platform-agnostic JAX Python library.☆21Jun 12, 2024Updated 2 years ago
- Legacy repository of the FREZCHEM code developed by Giles Marion (Desert Research Institute) et al., since the frezchem.dri.edu page is n…☆14Oct 14, 2021Updated 5 years ago
- Process the results of your StagYY runs☆16Jul 2, 2026Updated 3 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆24Sep 27, 2022Updated 4 years ago
- OpenFreezeCenter-Lite allows users to read/write and control the EC of laptops, specially MSI!☆19Jul 28, 2026Updated 3 months ago
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆20Sep 17, 2026Updated last month
- Scripts to calculate elastic properties from a set of strained structures☆22Jul 3, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆21Apr 20, 2024Updated 2 years ago
- Development of High-Throughput Polymer Network Atomistic Simulation☆35Updated this week
- A python package for performing GROMACS simulation ensembles☆22Jul 12, 2026Updated 3 months ago
- Interactive command-line pre/post-processing copilot for the ABACUS DFT software (GPL-3.0)☆40Oct 1, 2026Updated 3 weeks ago
- ☆29Apr 20, 2026Updated 6 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆22Oct 16, 2026Updated 2 weeks ago
- The TurboGAP code☆22Updated this week
- Process contour data file generated by the Perple_X program WERAMI☆21Aug 3, 2026Updated 2 months ago
- Tools for preparation and analysis of systems for molecular dynamics.☆32Dec 5, 2025Updated 10 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.
- Main repository for METAGUI3☆22Jun 19, 2021Updated 5 years ago
- ☆23Jun 2, 2024Updated 2 years ago
- Repository for the Theriak-Domino suite of programs.☆22Jan 11, 2026Updated 9 months ago
- ☆25Dec 3, 2025Updated 10 months ago
- ☆35Feb 27, 2026Updated 8 months ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆22Jun 6, 2024Updated 2 years ago
- MolClaw: An Autonomous Agent with Hierarchical Skills for Drug Molecule Evaluation, Screening, and Optimization☆38Sep 24, 2026Updated last month