Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs
☆63May 27, 2026Updated 3 months ago
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:
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆273Jul 22, 2026Updated last month
- ☆15Jul 21, 2026Updated last month
- GRACE models and gracemaker (as implemented in TensorPotential package)☆106Sep 3, 2026Updated 2 weeks ago
- Tensor Atomic/Edge Cluster Expansion☆67Updated this week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jun 28, 2026Updated 2 months ago
- 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.
- dataset augmentation for atomistic machine learning☆27Nov 21, 2025Updated 9 months ago
- ☆18Feb 26, 2026Updated 6 months ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆40Aug 19, 2026Updated last month
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆167Updated this week
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 11 months ago
- ☆140May 3, 2026Updated 4 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 2 months ago
- ☆17Apr 22, 2025Updated last year
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget☆76Apr 5, 2026Updated 5 months ago
- 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.
- Compute neighbor lists for atomistic systems☆85Sep 10, 2026Updated last week
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆25Aug 4, 2026Updated last month
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆430Updated this week
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 6 months ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆252Updated this week
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆98Sep 20, 2025Updated 11 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆67Apr 1, 2026Updated 5 months ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆35Aug 13, 2026Updated last month
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆19Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Torch-native, batchable, atomistic simulations.☆494Updated this week
- Generate isosurface from density data☆15Sep 7, 2026Updated last week
- EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers☆120Apr 17, 2026Updated 5 months ago
- Universal machine-learning models for advanced atomistic simulations☆233Sep 10, 2026Updated last week
- GAIA automates the generation of reactive MLIP datasets for atomistic simulations.☆29Nov 20, 2025Updated 10 months ago
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆42Mar 9, 2026Updated 6 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 11 months ago
- ☆29Nov 3, 2025Updated 10 months ago
- ☆44Dec 29, 2023Updated 2 years 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.
- A benchmark for Large Atomistic Models☆20Updated this week
- Atomistic machine learning models you can use everywhere for everything☆49Updated this week
- ☆17Jul 23, 2026Updated last month
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆27Aug 27, 2026Updated 3 weeks ago
- Code for the paper titled "The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials".☆18Nov 7, 2024Updated last year
- Training Neural Network potentials through customizable routines in JAX.☆73Updated this week
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆107Jan 28, 2026Updated 7 months ago