Framework to evaluate UMLFFs on experimental data
☆17Jul 25, 2026Updated 3 months ago
Alternatives and similar repositories for UniFFBench
Users that are interested in UniFFBench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- 'Discovery and recovery of crystalline materials with property-conditioned transformers' Zoo☆20Oct 13, 2026Updated 2 weeks ago
- dataset augmentation for atomistic machine learning☆27Nov 21, 2025Updated 11 months ago
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- ☆14Dec 28, 2025Updated 10 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆22Oct 13, 2026Updated 2 weeks ago
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆14Jul 2, 2026Updated 3 months ago
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- A benchmark for Large Atomistic Models☆20Oct 19, 2026Updated last week
- A RL framework for Crystal Structure Generation using GRPO☆73May 14, 2026Updated 5 months ago
- Latent Thermodynamic Flows☆14Nov 27, 2025Updated 11 months ago
- Machine learning potentials for modeling alloys across compositions☆13Oct 12, 2026Updated 2 weeks ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- ☆12Nov 19, 2023Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆48Oct 14, 2026Updated 2 weeks ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆56Updated this week
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching☆36Aug 28, 2026Updated 2 months ago
- Atomistic foundation models for materials simulation and discovery. Research previews from Kairos Materials.☆61Oct 2, 2026Updated 3 weeks ago
- Crsytal simulation tools☆11Oct 20, 2026Updated last week
- ☆43Updated this week
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆42Mar 9, 2026Updated 7 months ago
- Enhanced sampling in the representation space of atomistic neural networks.☆17Updated this week
- 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 free and open platform for interactive benchmarking and simulations using machine learning interatomic potentials☆25Oct 14, 2026Updated 2 weeks ago
- ☆24Aug 23, 2026Updated 2 months ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆108Jan 28, 2026Updated 9 months ago
- PEACE: Protomer Enumerator & Automatic Calculator for Energies☆13Oct 16, 2026Updated last week
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆20Oct 7, 2026Updated 3 weeks ago
- diffusion models for material generation☆15May 14, 2026Updated 5 months ago
- Updated fast, rule-free atom mapping for chemical reactions with a full pipeline to train, select, and evaluate your own RXNMapper/ALBERT…☆21Aug 20, 2026Updated 2 months ago
- ☆53Sep 23, 2026Updated last month
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- MACE-Field - Fast and accurate machine learning interatomic potentials under an external electric field for predicting dielectric propert…☆33Sep 21, 2026Updated last month
- Basis set files for the q-vSZPs basis set and its non-adaptive variant (qavg-vSZPs) together with guidelines how to use them.☆12Jul 7, 2026Updated 3 months ago
- A python library for calculating materials properties from the PES☆157Updated this week
- ☆18Sep 29, 2026Updated last month
- The repository for the generative pretrained model on polymer generation☆23Mar 20, 2026Updated 7 months ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆99Sep 20, 2025Updated last year
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 months ago