atomicarchitects / equiformerLinks
[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
☆248Updated 6 months ago
Alternatives and similar repositories for equiformer
Users that are interested in equiformer are comparing it to the libraries listed below
Sorting:
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆284Updated 6 months ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆255Updated 2 years ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆381Updated 2 years ago
- ☆59Updated 8 months ago
- ☆525Updated 3 years ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆152Updated 9 months ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆267Updated last year
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆273Updated 8 months ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆107Updated 11 months ago
- GEOM: Energy-annotated molecular conformations☆230Updated 3 years ago
- E(3) Steerable Graph Neural Network☆121Updated 2 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆350Updated last year
- Training neural network potentials☆428Updated 2 months ago
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆209Updated 2 years ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆248Updated 8 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆64Updated 9 months ago
- Neural Network Force Field based on PyTorch☆279Updated 3 weeks ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆169Updated 3 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆37Updated last year
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆330Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆121Updated last week
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆249Updated 2 months ago
- List of Geometric GNNs for 3D atomic systems☆115Updated last year
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆43Updated 2 weeks ago
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆487Updated 8 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆316Updated last year
- [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)☆214Updated 2 years ago
- G-SchNet - a generative model for 3d molecular structures☆142Updated 2 years ago