GRACE models and gracemaker (as implemented in TensorPotential package)
β97Jul 13, 2026Updated last week
Alternatives and similar repositories for grace-tensorpotential
Users that are interested in grace-tensorpotential are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Universal machine-learning models for advanced atomistic simulationsβ223Jul 9, 2026Updated last week
- π [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics β¦β104Jul 2, 2026Updated 2 weeks ago
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.β260Jul 12, 2026Updated last week
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulationβ97Sep 20, 2025Updated 10 months ago
- A python library for calculating materials properties from the PESβ148Jul 10, 2026Updated last week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits β’ AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Torch-native, batchable, atomistic simulations.β477Jul 7, 2026Updated last week
- MACE foundation models (MP, OMAT, mh-1)β280Jul 12, 2026Updated last week
- An evaluation framework for machine learning models simulating high-throughput materials discovery.β240Updated this week
- β111Jun 5, 2026Updated last month
- β137May 3, 2026Updated 2 months ago
- Heat-conductivity benchmark test for foundational machine-learning potentialsβ31Jun 28, 2026Updated 3 weeks ago
- β57Jun 16, 2026Updated last month
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPβ¦β105Jan 28, 2026Updated 5 months ago
- Code for automated fitting of machine learned interatomic potentials.β152Jul 14, 2026Updated last week
- End-to-end encrypted cloud storage - Proton Drive β’ AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.β14Jul 6, 2026Updated 2 weeks ago
- ORB forcefield models from Orbital Materialsβ605Jul 9, 2026Updated last week
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyironβ18Jul 2, 2026Updated 2 weeks ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentialsβ27Updated this week
- Compute neighbor lists for atomistic systemsβ83Jul 9, 2026Updated last week
- Library for Crystal Symmetry in Rustβ76Updated this week
- [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budgetβ76Apr 5, 2026Updated 3 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.β18Oct 19, 2025Updated 9 months ago
- Alchemical machine learning interatomic potentialsβ36Nov 8, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean β’ AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Atomistic machine learning models you can use everywhere for everythingβ45Updated this week
- β43May 8, 2026Updated 2 months ago
- Tensor Atomic Cluster Expansionβ51Updated this week
- Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPsβ62May 27, 2026Updated last month
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.β1,281Updated this week
- Quick Uncertainty and Entropy via STructural Similarityβ63Apr 1, 2026Updated 3 months ago
- β26Aug 20, 2025Updated 11 months ago
- pytorch implementation of dftd2 & dftd3 (not actively maintained)β107Mar 11, 2026Updated 4 months ago
- Generate symmetrized force constantsβ29Jul 14, 2026Updated last week
- Open source password manager - Proton Pass β’ AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modelingβ44Dec 17, 2025Updated 7 months ago
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.β577Jun 17, 2026Updated last month
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.β271Updated this week
- train and use graph-based ML models of potential energy surfacesβ127Jul 13, 2026Updated last week
- Graph deep learning library for materialsβ563Updated this week
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithmsβ29Jul 13, 2026Updated last week
- SO3krates and Universal Pairwise Force Field for Molecular Simulationβ227Apr 17, 2026Updated 3 months ago