☆60Apr 10, 2022Updated 3 years ago
Alternatives and similar repositories for en_flows
Users that are interested in en_flows are comparing it to the libraries listed below
Sorting:
- ☆12May 12, 2023Updated 2 years ago
- ☆34Feb 12, 2025Updated last year
- Source code accompanying the NeurIPS 2022 paper "Learning Partial Equivariances From Data"☆10Nov 18, 2022Updated 3 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆270Feb 11, 2025Updated last year
- ☆525Feb 23, 2022Updated 4 years ago
- Pytorch implementation of The ICML 2020 paper "On Learning Sets of Symmetric Elements" by Haggai Maron, Or Litany, Gal Chechik, Ethan Fet…☆10Apr 22, 2021Updated 4 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Mar 2, 2023Updated 3 years ago
- Boltzmann Generators and Normalizing Flows in PyTorch☆190Jan 30, 2024Updated 2 years ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆405May 17, 2023Updated 2 years ago
- jax library for E3 Equivariant Neural Networks☆224Aug 25, 2025Updated 6 months ago
- ☆549Jul 10, 2022Updated 3 years ago
- PyTorch implementation for our ICLR 2024 paper "Diffusion Generative Flow Samplers: Improving learning signals through partial trajectory…☆26Dec 21, 2023Updated 2 years ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆53Jun 13, 2023Updated 2 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆105Jul 30, 2024Updated last year
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 6 months ago
- Implementation for SE(3) diffusion model with application to protein backbone generation☆415Jul 3, 2023Updated 2 years ago
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆369Apr 17, 2024Updated last year
- Implementation of methods to sample from Boltzmann distributions☆21Jan 24, 2023Updated 3 years ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆281Feb 10, 2024Updated 2 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆115Oct 30, 2024Updated last year
- Score-based generative models for compact manifolds☆119Jan 14, 2024Updated 2 years ago
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆59May 6, 2024Updated last year
- Flow Annealed Importance Sampling Bootstrap (FAB). ICLR 2023.☆67Mar 11, 2024Updated last year
- A modular framework for neural networks with Euclidean symmetry☆1,223Feb 13, 2026Updated 3 weeks ago
- GEOM: Energy-annotated molecular conformations☆240Apr 24, 2022Updated 3 years ago
- [ICML2025] The official implementation of "PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models"☆34Jan 30, 2026Updated last month
- [ICML 2024] Official implementation for "Beyond ELBOs: A Large-Scale Evaluation of Variational Methods for Sampling".☆46Dec 9, 2024Updated last year
- Multi-dimensional (generalized) Langevin equation☆11Sep 14, 2024Updated last year
- Code for paper "Argmax Flows and Multinomial Diffusion: Learning Categorical Distributions"☆92Jun 1, 2021Updated 4 years ago
- E(3) Steerable Graph Neural Network☆126Feb 10, 2023Updated 3 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Jun 14, 2023Updated 2 years ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆271Jun 9, 2023Updated 2 years ago
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆49Feb 26, 2026Updated last week
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆42Jul 9, 2023Updated 2 years ago
- Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).☆172Sep 29, 2021Updated 4 years ago
- Awesome list about AI4Polymer☆17Sep 23, 2025Updated 5 months ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Feb 28, 2026Updated last week
- Inpainting protein sequence and structure☆12Nov 10, 2023Updated 2 years ago