☆11Sep 18, 2024Updated 2 years ago
Alternatives and similar repositories for ACEpotentials-Tutorial
Users that are interested in ACEpotentials-Tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆13Dec 26, 2022Updated 3 years ago
- ☆12Sep 16, 2024Updated 2 years ago
- Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …☆17May 31, 2022Updated 4 years ago
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 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.
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated 2 years ago
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆23Feb 3, 2025Updated last year
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆15Mar 11, 2020Updated 6 years ago
- Calculation of vibrational spectra with quantum nuclear motion☆14Sep 18, 2024Updated 2 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated 2 years ago
- ☆18Mar 24, 2025Updated last year
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Updated this week
- Building blocks for scientific data pipelines☆44Oct 2, 2026Updated 2 weeks 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.
- Mirror of http://zeoplusplus.org/☆15May 3, 2018Updated 8 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆19Dec 18, 2022Updated 3 years ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆79Oct 8, 2026Updated last week
- ☆115Sep 4, 2026Updated last month
- ⚛ download and manipulate atomistic datasets☆49Nov 25, 2025Updated 10 months ago
- A vectorised implementation of the Debye Scattering Equation on CPU and GPU☆37Sep 29, 2026Updated 2 weeks ago
- ☆10May 1, 2025Updated last year
- ITT☆16Oct 16, 2025Updated last year
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- scalable molecular simulation☆144Apr 28, 2026Updated 5 months ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆31Oct 14, 2021Updated 5 years ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)☆22Oct 6, 2026Updated last week
- Julia Bindings for Atomic Simulation Environment☆38Nov 10, 2020Updated 5 years ago
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated 4 months ago
- URL links to phonondb data☆43May 20, 2026Updated 4 months ago
- LAMMPS plugin for AiiDA☆29Updated this week
- ☆14Jul 25, 2025Updated last year
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Apr 7, 2023Updated 3 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.
- Tracing / profiling Julia code with Score-P☆16Jul 6, 2023Updated 3 years ago
- https://mth229.github.io☆13Apr 20, 2026Updated 5 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆126Oct 7, 2026Updated last week
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆31Oct 18, 2023Updated 2 years ago
- This Repository contains a modified version of unet_learner function from fastai library which you can use to define a unet with more/les…☆16May 18, 2023Updated 3 years ago
- ☆14Sep 7, 2023Updated 3 years ago
- Active Learning for Machine Learning Potentials☆71Jun 20, 2026Updated 3 months ago