Zentropy-enhanced neural network
☆21Jan 3, 2026Updated 6 months ago
Alternatives and similar repositories for ZENN
Users that are interested in ZENN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆24Updated this week
- This repository will house information and code examples of pulling thermodynamic data from metal alloy systems from the NIST alloy data …☆12Jun 2, 2022Updated 4 years ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆69Apr 26, 2026Updated 2 months ago
- NIM simPLEX: A concise scientific Nim library (with CLI and Python binding) providing samplings, uniform grids, and traversal graphs in c…☆21Oct 25, 2025Updated 8 months ago
- dataset augmentation for atomistic machine learning☆25Nov 21, 2025Updated 7 months ago
- 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.
- nim Composition Space Optimization is a high-performance tool leveraging metaprogramming to implement several methods for selecting compo…☆24Feb 21, 2026Updated 5 months ago
- Python package for uncertainty quantification in CALPHAD☆12Dec 2, 2024Updated last year
- Enhanced sampling in the representation space of atomistic neural networks.☆15Jul 13, 2026Updated last week
- A modular Python framework for deploying, benchmarking, and analyzing state-of-the-art machine learning potentials and simulation workflo…☆26Jun 2, 2026Updated last month
- ☆17Jun 9, 2026Updated last month
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Updated this week
- ☆16Apr 22, 2025Updated last year
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 4 months ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆87Jun 22, 2026Updated 3 weeks 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.
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jul 6, 2026Updated 2 weeks ago
- ML potentials via transfer learning☆29Updated this week
- A tool for finding optimized SQS structures tool written in C++☆73Updated this week
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- TUnA: Transformer-based Uncertainty Aware model for PPI Prediction☆17Dec 21, 2025Updated 7 months ago
- Framework to evaluate UMLFFs on experimental data☆15Jul 12, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 9 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆15Updated this week
- ☆18Feb 26, 2026Updated 4 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.
- Lightweight diffusion transformer for crystalline materials discovery☆24Updated this week
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 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 5 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 2025Updated last year
- Reproduction of CGCNN for predicting material properties☆27Jul 7, 2026Updated 2 weeks ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆63Apr 1, 2026Updated 3 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Jul 1, 2026Updated 2 weeks ago
- 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.
- ☆25Nov 1, 2024Updated last year
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆25Jul 14, 2023Updated 3 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 3 weeks ago
- Diffusion models for disordered materials☆21Nov 18, 2025Updated 8 months ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Jul 13, 2026Updated last week
- ReaxNet: a polarizable long-range interactions integrated equivariant machine learning potential☆16Jan 6, 2026Updated 6 months ago
- ☆14Dec 14, 2024Updated last year