Diffusion models for disordered materials
☆21Nov 18, 2025Updated 9 months ago
Alternatives and similar repositories for DM2
Users that are interested in DM2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆17Apr 22, 2025Updated last year
- MACE_Osaka24 models☆29Apr 15, 2026Updated 4 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆66Apr 1, 2026Updated 4 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 5 months ago
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆75Apr 5, 2026Updated 4 months 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.
- Automation software for calculating anharmonic phonon properties☆27Updated this week
- A benchmark for Large Atomistic Models☆20Updated this week
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- ☆15Feb 17, 2025Updated last year
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆34May 4, 2026Updated 3 months ago
- ☆25Nov 1, 2024Updated last year
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆16Aug 14, 2026Updated last week
- Framework to evaluate UMLFFs on experimental data☆15Jul 25, 2026Updated 3 weeks ago
- ☆18Feb 26, 2026Updated 5 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Flow matching for accelerated simulation of atomic transport☆69Oct 17, 2025Updated 10 months ago
- CUDA implementations of MACE models☆22Aug 19, 2025Updated last year
- ML potentials via transfer learning☆30Jul 28, 2026Updated 3 weeks ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆17Feb 15, 2026Updated 6 months ago
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆23Aug 4, 2026Updated 2 weeks ago
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆42Mar 9, 2026Updated 5 months ago
- ☆17Jul 23, 2026Updated 3 weeks ago
- Allegro-pol extends the Allegro architecture to model the electric response of materials☆41May 30, 2026Updated 2 months ago
- ☆17Jul 2, 2026Updated last month
- 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.
- Machine Learned Interatomic Potential Tools☆25Updated this week
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 4 years ago
- Tensor Atomic/Edge Cluster Expansion☆60Updated this week
- ☆48Sep 16, 2025Updated 11 months ago
- ReaxNet: a polarizable long-range interactions integrated equivariant machine learning potential☆17Jan 6, 2026Updated 7 months ago
- Sum-of-Gaussians Neural Network (SOG-Net) is a lightweight and versatile framework for integrating long-range interactions into machine l…☆35Dec 23, 2025Updated 7 months ago
- OMNI-P2x: A universal neural network potential for excited states☆16Mar 19, 2026Updated 5 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆15Oct 30, 2024Updated last year
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 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.
- ☆19Apr 15, 2026Updated 4 months ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- Training Neural Network potentials through customizable routines in JAX.☆72Jun 30, 2026Updated last month
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆46Dec 17, 2025Updated 8 months ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jun 28, 2026Updated last month
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆98Sep 20, 2025Updated 11 months ago
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year