☆42May 8, 2026Updated last month
Alternatives and similar repositories for symmetrix
Users that are interested in symmetrix are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated last year
- CUDA implementations of MACE models☆24Aug 19, 2025Updated 10 months ago
- ☆53Jun 16, 2026Updated 2 weeks ago
- ☆35Jun 17, 2026Updated 2 weeks ago
- Compute neighbor lists for atomistic systems☆82Jun 24, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Reproduction of CGCNN for predicting material properties☆27Updated this week
- MESS: Modern Electronic Structure Simulations☆43May 9, 2026Updated last month
- ☆12May 10, 2024Updated 2 years ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆105Jan 28, 2026Updated 5 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆104Updated this week
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆50Jun 29, 2026Updated last week
- Particle-mesh based calculations of long-range interactions in PyTorch☆80Updated this week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 8 months ago
- Collection of tutorials to use the MACE machine learning force field.☆62Jan 22, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- Tools for geometric learning☆12Sep 26, 2025Updated 9 months ago
- Machine Learned Interatomic Potential Tools☆25Jun 29, 2026Updated last week
- ☆24Dec 11, 2024Updated last year
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- tools for graph-based machine-learning potentials in jax☆27Apr 9, 2024Updated 2 years ago
- python workflow toolkit☆43Dec 23, 2025Updated 6 months ago
- Library for Crystal Symmetry in Rust☆75Jun 29, 2026Updated last week
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 8 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆11Sep 16, 2024Updated last year
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆118Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆61Apr 1, 2026Updated 3 months ago
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆158Jun 14, 2026Updated 3 weeks ago
- dataset augmentation for atomistic machine learning☆25Nov 21, 2025Updated 7 months ago
- Tools for machine learnt interatomic potentials☆49Apr 27, 2026Updated 2 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- A RL framework for Crystal Structure Generation using GRPO☆45May 14, 2026Updated last month
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated last week
- 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.
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Jun 5, 2023Updated 3 years ago
- ☆12Nov 19, 2023Updated 2 years ago
- ☆23Mar 18, 2024Updated 2 years ago
- Calculation of vibrational spectra with quantum nuclear motion☆12Sep 18, 2024Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 4 months ago
- Pretrained model for molecular wavefunctions☆61Apr 21, 2026Updated 2 months ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆89Jul 14, 2025Updated 11 months ago