atomicarchitects / equiformer_v2Links
[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
☆285Updated 6 months ago
Alternatives and similar repositories for equiformer_v2
Users that are interested in equiformer_v2 are comparing it to the libraries listed below
Sorting:
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆248Updated 6 months ago
- Neural Network Force Field based on PyTorch☆279Updated 3 weeks ago
- Training neural network potentials☆428Updated 2 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆153Updated 10 months ago
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆210Updated 2 years ago
- ☆59Updated 8 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆250Updated 3 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆64Updated 9 months ago
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆286Updated this week
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆319Updated last year
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆266Updated last year
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆44Updated 2 weeks ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆60Updated 10 months ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆381Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆230Updated 3 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- ☆525Updated 3 years ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆256Updated 2 years ago
- Torch-native, batchable, atomistic simulations.☆275Updated last week
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆333Updated last year
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆102Updated last year
- List of Geometric GNNs for 3D atomic systems☆115Updated last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆123Updated 4 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆38Updated 6 months ago
- E(3) Steerable Graph Neural Network☆122Updated 2 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆350Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆99Updated 3 months ago
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 9 months ago
- An object-aware diffusion model for generating chemical reactions☆137Updated last year
- G-SchNet - a generative model for 3d molecular structures☆142Updated 2 years ago