GenSI-THUAIR / MolFMLinks
Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
☆37Updated last year
Alternatives and similar repositories for MolFM
Users that are interested in MolFM are comparing it to the libraries listed below
Sorting:
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆50Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆40Updated 3 weeks ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆54Updated last year
- ☆59Updated 8 months ago
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆48Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆82Updated 2 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆65Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆121Updated last week
- Efficient 3D molecular generation with flow-matching and Semla☆38Updated last month
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆48Updated 2 years ago
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆52Updated last year
- Geometric Latent Diffusion Models for 3D Molecule Generation☆255Updated 2 years ago
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆38Updated 4 months ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆65Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆30Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆107Updated 11 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆152Updated 9 months ago
- RetroBridge: Markov Bridge Model for Retrosynthesis Planning☆31Updated last year
- ☆20Updated last month
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆39Updated last year
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆25Updated 2 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated 11 months ago
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆56Updated last year
- ☆17Updated 2 years ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆62Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated last year