β12May 10, 2024Updated last year
Alternatives and similar repositories for mfn
Users that are interested in mfn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phononsβ16Oct 30, 2024Updated last year
- π [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics β¦β98Apr 16, 2026Updated 2 weeks ago
- CUDA implementations of MACE modelsβ23Aug 19, 2025Updated 8 months ago
- Compute neighbor lists for atomistic systemsβ79Apr 24, 2026Updated last week
- Tools for geometric learningβ12Sep 26, 2025Updated 7 months ago
- 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.
- β40Feb 22, 2026Updated 2 months ago
- β12Oct 10, 2023Updated 2 years ago
- An implementation of SchNet in JAX and JAX-MD.β17Apr 5, 2022Updated 4 years ago
- β17Sep 17, 2025Updated 7 months ago
- β35Feb 2, 2026Updated 3 months ago
- Pretrained model for molecular wavefunctionsβ58Apr 21, 2026Updated 2 weeks ago
- Gold-Standard Chemical Database 138 (GSCDB138)β34Mar 19, 2026Updated last month
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIPβ¦β102Jan 28, 2026Updated 3 months ago
- β14Apr 26, 2018Updated 8 years ago
- Managed Database hosting by DigitalOcean β’ AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0β19Nov 16, 2025Updated 5 months ago
- β24Nov 1, 2023Updated 2 years ago
- β22Dec 11, 2024Updated last year
- Collection of Tutorials on Machine Learning Interatomic Potentialsβ28Jul 26, 2024Updated last year
- Free energy calculators by Bayesian-inspired nested sampling and other integration techniquesβ23Updated this week
- Pure C implementation of e3nnβ25Mar 17, 2025Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.β120Apr 22, 2026Updated 2 weeks ago
- jax library for E3 Equivariant Neural Networksβ231Apr 1, 2026Updated last month
- Build neural networks for machine learning force fields with JAXβ136Jun 2, 2025Updated 11 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer β’ AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Collaborative Science Platform aims to transform the way scientific research is conducted by providing a structured and collaborative appβ¦β12Dec 30, 2023Updated 2 years ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".β21Oct 29, 2024Updated last year
- Repository with content of BIASlab website for Hugo static site generator.β13Nov 24, 2025Updated 5 months ago
- Force-field-enhanced Neural Networks optimized libraryβ87Apr 3, 2026Updated last month
- Run OpenMM with forces provided by any Python programβ40Dec 25, 2024Updated last year
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDβ¦β388Apr 22, 2026Updated 2 weeks ago
- β49Updated this week
- Self-describing sparse tensor data format for atomistic machine learning and beyondβ98Updated this week
- Multi-language library for the calculation of spherical harmonics in Cartesian coordinatesβ96Updated this week
- Deploy on Railway without the complexity - Free Credits Offer β’ AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- SO3krates and Universal Pairwise Force Field for Molecular Simulationβ211Apr 17, 2026Updated 2 weeks ago
- Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"β14Jul 2, 2023Updated 2 years ago
- Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)β19Apr 18, 2026Updated 2 weeks ago
- Zero Shot Molecular Generation via Similarity Kernelsβ29Aug 27, 2025Updated 8 months ago
- Hypergraph Vision Transformers: Images are More than Nodes, More than Edgesβ19Jul 25, 2025Updated 9 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)β53Updated this week
- A PyTorch implementation of The ICLR 2019 paper "Invariant and Equivariant Graph Networks" by Haggai Maron, Heli Ben-Hamu, Nadav Shamir aβ¦β17Mar 7, 2022Updated 4 years ago