☆63Dec 8, 2024Updated last year
Alternatives and similar repositories for LeftNet
Users that are interested in LeftNet are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICML 2024] Official implementation of FastEGNN: Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes …☆32Jun 25, 2025Updated last year
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆30Nov 21, 2022Updated 3 years ago
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 4 years ago
- An object-aware diffusion model for generating chemical reactions☆147May 29, 2024Updated 2 years ago
- Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"☆57Oct 20, 2021Updated 5 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆28Jan 11, 2024Updated 2 years ago
- Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).☆14Dec 2, 2023Updated 2 years ago
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆65Mar 27, 2024Updated 2 years ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆277Jun 9, 2023Updated 3 years ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆31Aug 9, 2022Updated 4 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Jun 5, 2024Updated 2 years ago
- PyTorch implementation for our ICLR 2024 paper "Diffusion Generative Flow Samplers: Improving learning signals through partial trajectory…☆25Dec 21, 2023Updated 2 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆290Feb 11, 2025Updated last year
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆46Sep 1, 2026Updated last month
- 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.
- ☆576Jul 10, 2022Updated 4 years ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆75Mar 5, 2026Updated 7 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆128Oct 20, 2026Updated last week
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆60Jun 4, 2024Updated 2 years ago
- Descriptors-free Collective Variables From Geometric Graph Neural Networks.☆12Dec 27, 2024Updated last year
- Official Implementation of "Agentic reinforcement learning empowers next-generation chemical language models for molecular design and syn…☆13Apr 12, 2026Updated 6 months ago
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆20Jul 16, 2025Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated last year
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆222Apr 26, 2023Updated 3 years ago
- 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.
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆353Apr 10, 2026Updated 6 months ago
- Neural Network Force Field based on PyTorch☆293Jul 13, 2026Updated 3 months ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆36Oct 8, 2026Updated 3 weeks ago
- Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML …☆526Oct 9, 2025Updated last year
- ☆46Dec 8, 2024Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆413Sep 15, 2026Updated last month
- Training Neural Network potentials through customizable routines in JAX.☆74Oct 23, 2026Updated last week
- E(3) Steerable Graph Neural Network☆128Feb 10, 2023Updated 3 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.
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆48May 10, 2024Updated 2 years ago
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆16Dec 18, 2025Updated 10 months ago
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 3 years ago
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆78Feb 24, 2021Updated 5 years ago
- Build neural networks for machine learning force fields with JAX☆138Jun 2, 2025Updated last year
- MDM☆59Feb 9, 2024Updated 2 years ago
- Reaction Network Graph Theoretical tool for automated mechanistic studies in computational homogeneous catalysis☆11Oct 3, 2023Updated 3 years ago