Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs
☆63May 27, 2026Updated last month
Alternatives and similar repositories for flashTP
Users that are interested in flashTP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 4 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 8 months ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆13Jul 8, 2025Updated 11 months ago
- OMNI-P2x: A universal neural network potential for excited states☆14Mar 19, 2026Updated 3 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆61Apr 1, 2026Updated 2 months 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.
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆75Apr 5, 2026Updated 2 months ago
- ☆53Jun 16, 2026Updated 2 weeks ago
- Diffusion models for disordered materials☆20Nov 18, 2025Updated 7 months ago
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆28Nov 20, 2025Updated 7 months ago
- ☆43Dec 29, 2023Updated 2 years ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated last month
- A flexible workflow for on-the-fly learning of interatomic potential models.☆33Jun 3, 2026Updated 3 weeks ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆252Jun 24, 2026Updated last week
- Compute neighbor lists for atomistic systems☆82Updated this week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Reproduction of CGCNN for predicting material properties☆27Jun 11, 2026Updated 2 weeks ago
- Grid Generation☆11Mar 7, 2024Updated 2 years ago
- Fast, hackable neural-network force fields and molecular dynamics in JAX.☆43Jun 11, 2026Updated 2 weeks ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆56Oct 21, 2025Updated 8 months ago
- MatAgent: A generative framework for interpretable and targeted inorganic materials design using diffusion-based generation, property pre…☆18Dec 11, 2025Updated 6 months ago
- MACE_Osaka24 models☆27Apr 15, 2026Updated 2 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆104Jun 20, 2026Updated last week
- Tools for machine learnt interatomic potentials☆47Apr 27, 2026Updated 2 months ago
- Alchemical machine learning interatomic potentials☆36Nov 8, 2024Updated last year
- 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.
- DFT dataset and machine learning models for high entropy alloys☆28Apr 19, 2024Updated 2 years ago
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆13Dec 3, 2025Updated 6 months ago
- ☆135May 3, 2026Updated last month
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Collection of tutorials to use the MACE machine learning force field.☆61Jan 22, 2026Updated 5 months ago
- Fast and accurate spherical harmonics products☆24Dec 16, 2021Updated 4 years ago
- Build neural networks for machine learning force fields with JAX☆137Jun 2, 2025Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 8 months ago
- Deep Potential Evolution Accelerator☆31Jun 17, 2026Updated 2 weeks ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A collection of files related to machine learning force fields☆24Oct 25, 2023Updated 2 years ago
- dataset augmentation for atomistic machine learning☆25Nov 21, 2025Updated 7 months ago
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆25Apr 17, 2025Updated last year
- Allegro-pol extends the Allegro architecture to model the electric response of materials☆38May 30, 2026Updated last month
- ☆24Nov 23, 2023Updated 2 years ago
- This repository is a package to provide SAIT Machine Learning Force Field(MLFF) Framework☆40Oct 25, 2023Updated 2 years ago
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 10 months ago