SO3krates and Universal Pairwise Force Field for Molecular Simulation
☆208Feb 16, 2026Updated 2 months ago
Alternatives and similar repositories for so3lr
Users that are interested in so3lr are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Build neural networks for machine learning force fields with JAX☆136Jun 2, 2025Updated 10 months ago
- tools for graph-based machine-learning potentials in jax☆26Apr 9, 2024Updated 2 years ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆79Jan 7, 2026Updated 3 months ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- ORB forcefield models from Orbital Materials☆567Mar 18, 2026Updated last month
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Force-field-enhanced Neural Networks optimized library☆86Apr 3, 2026Updated 2 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆98Updated this week
- Compute neighbor lists for atomistic systems☆75Updated this week
- Torch-native, batchable, atomistic simulations.☆446Updated this week
- High-performance operations for neural network potentials☆102Feb 4, 2026Updated 2 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆118Apr 7, 2025Updated last year
- Computing representations for atomistic machine learning☆80Apr 2, 2026Updated 2 weeks ago
- MLP training for molecular systems☆58Apr 11, 2026Updated last week
- DEPRECATED — migrated to isayevlab/aimnetcentral☆169Apr 11, 2026Updated last week
- 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 QM data for training potential functions☆194Feb 25, 2026Updated last month
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated last month
- Atomistic machine learning models you can use everywhere for everything☆38Updated this week
- ☆122Updated this week
- byteff source code☆82Feb 26, 2025Updated last year
- Particle-mesh based calculations of long-range interactions in JAX☆27Mar 30, 2026Updated 3 weeks ago
- MACE foundation models (MP, OMAT, mh-1)☆232Updated this week
- Run OpenMM with forces provided by any Python program☆40Dec 25, 2024Updated last year
- NequIP is a code for building E(3)-equivariant interatomic potentials☆895Mar 25, 2026Updated 3 weeks 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.
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆241Apr 14, 2026Updated last week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,145Apr 6, 2026Updated 2 weeks ago
- Training neural network potentials☆472Mar 31, 2026Updated 2 weeks ago
- An interactive structure/property explorer for materials and molecules☆175Apr 2, 2026Updated 2 weeks ago
- OMNI-P2x: A universal neural network potential for excited states☆13Mar 19, 2026Updated last month
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆102Jan 28, 2026Updated 2 months ago
- Input files and binding free energy values from our benchmark with QuantumBind-RBFE☆16Apr 16, 2025Updated last year
- Universal interatomic potentials for advanced materials modeling☆196Mar 31, 2026Updated 3 weeks ago
- Code for automated fitting of machine learned interatomic potentials.☆144Updated this week
- 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.
- High level API for using machine learning models in OpenMM simulations☆160Mar 25, 2026Updated 3 weeks ago
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆387Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆89Mar 6, 2026Updated last month
- AI-enhanced computational chemistry☆141Mar 9, 2026Updated last month
- DIfferentiable MOlecular Simulator (DIMOS): A pyTorch based framework for machine-learning enhanced simulations☆31Nov 11, 2025Updated 5 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 6 months ago
- PaiNN in jax☆11Jan 14, 2025Updated last year