SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
β226Updated this week
Alternatives and similar repositories for SevenNet
Users that are interested in SevenNet are comparing it to the libraries listed below
Sorting:
- An evaluation framework for machine learning models simulating high-throughput materials discovery.β212Feb 14, 2026Updated 2 weeks ago
- π [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics β¦β90Updated this week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.govβ365Feb 19, 2026Updated last week
- Alchemical machine learning interatomic potentialsβ34Nov 8, 2024Updated last year
- A python library for calculating materials properties from the PESβ131Updated this week
- GRACE models and gracemaker (as implemented in TensorPotential package)β84Dec 17, 2025Updated 2 months ago
- Torch-native, batchable, atomistic simulations.β416Feb 21, 2026Updated last week
- ORB forcefield models from Orbital Materialsβ546Feb 17, 2026Updated last week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.β1,064Updated this week
- Compute neighbor lists for atomistic systemsβ74Updated this week
- train and use graph-based ML models of potential energy surfacesβ121Feb 20, 2026Updated last week
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.β513Updated this week
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potentialβ59Sep 26, 2025Updated 5 months ago
- Code for automated fitting of machine learned interatomic potentials.β137Updated this week
- NequIP is a code for building E(3)-equivariant interatomic potentialsβ868Updated this week
- π A ranked list of awesome atomistic machine learning projects βοΈπ§¬π.β618Updated this week
- atomate2 is a library of computational materials science workflowsβ283Updated this week
- Graph deep learning library for materialsβ509Feb 20, 2026Updated last week
- Train, fine-tune, and manipulate machine learning models for atomistic systemsβ59Updated this week
- A toolkit for visualizations in materials informatics.β299Updated this week
- Active Learning for Machine Learning Potentialsβ66Feb 3, 2026Updated 3 weeks ago
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.β247Updated this week
- A molecular simulation package integrating MLFFs in MOFs for DACβ42Oct 17, 2025Updated 4 months ago
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.β311Apr 7, 2025Updated 10 months ago
- β119Feb 10, 2026Updated 2 weeks ago
- Tools for machine learnt interatomic potentialsβ44Feb 21, 2026Updated last week
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPβ¦β96Jan 28, 2026Updated last month
- jobflow is a library for writing computational workflows.β118Updated this week
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDβ¦β367Feb 17, 2026Updated last week
- Computing representations for atomistic machine learningβ78Feb 4, 2026Updated 3 weeks ago
- MACE foundation models (MP, OMAT, mh-1)β203Updated this week
- β25Aug 20, 2025Updated 6 months ago
- β31Jul 8, 2025Updated 7 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.β448Feb 14, 2026Updated 2 weeks ago
- Quick Uncertainty and Entropy via STructural Similarityβ56Updated this week
- Build neural networks for machine learning force fields with JAXβ132Jun 2, 2025Updated 8 months ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representationsβ322Feb 11, 2025Updated last year
- A foundational potential energy dataset for materialsβ51Feb 2, 2026Updated 3 weeks ago
- FAIR Chemistry's library of machine learning methods for chemistryβ1,953Updated this week