AlgoMole / MolFMLinks
Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
☆36Updated last year
Alternatives and similar repositories for MolFM
Users that are interested in MolFM are comparing it to the libraries listed below
Sorting:
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆68Updated last week
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆47Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆46Updated last year
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆33Updated 2 weeks ago
- ☆56Updated 5 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆91Updated 2 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆56Updated 10 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆46Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆36Updated 2 months ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆31Updated last year
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆51Updated last year
- ☆18Updated 3 months ago
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆37Updated last year
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆21Updated last month
- ☆23Updated last year
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆40Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆107Updated this week
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆50Updated 11 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆42Updated 9 months ago
- EDM: E(3) Equivariant Diffusion Model for Molecule Generation in 3D☆24Updated 2 years ago
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆30Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 8 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆120Updated last year
- A GFlowNet with a chemical synthesis action space.☆53Updated 4 months ago
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆25Updated 3 weeks ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆62Updated last year
- Efficient 3D molecular generation with flow-matching and Semla☆26Updated 2 months ago
- Papers about Structure-based Drug Design (SBDD)☆114Updated 5 months ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆102Updated 8 months ago