facebookresearch / flowmm
Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions"
☆122Updated 6 months ago
Alternatives and similar repositories for flowmm:
Users that are interested in flowmm are comparing it to the libraries listed below
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆59Updated 6 months ago
- ☆56Updated 4 months ago
- Official implementation of All Atom Diffusion Transformers☆182Updated last week
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆56Updated 6 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆102Updated last week
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆101Updated 7 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆233Updated 2 months ago
- ☆34Updated 2 months ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆263Updated 2 months ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆60Updated 11 months ago
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆222Updated 4 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆33Updated 2 months ago
- Geometric Latent Diffusion Models for 3D Molecule Generation☆248Updated last year
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆36Updated 11 months ago
- E(3) Steerable Graph Neural Network☆117Updated 2 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆118Updated 11 months ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆49Updated last month
- Official implementation of pre-training via denoising for TorchMD-NET☆91Updated 2 years ago
- Efficient 3D molecular generation with flow-matching and Semla☆22Updated last month
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆56Updated last year
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆30Updated 2 weeks ago
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 6 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆46Updated last year
- Large language models to generate stable crystals.☆101Updated 10 months ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆29Updated last year
- List of Geometric GNNs for 3D atomic systems☆105Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆47Updated last month
- Code for the paper https://arxiv.org/abs/2402.04997☆77Updated last year
- ☆60Updated 3 years ago
- ☆22Updated last year