igashov / RetroBridge
RetroBridge: Markov Bridge Model for Retrosynthesis Planning
☆28Updated 10 months ago
Alternatives and similar repositories for RetroBridge:
Users that are interested in RetroBridge are comparing it to the libraries listed below
- Official implementation of pre-training via denoising for TorchMD-NET☆88Updated last year
- A GFlowNet with a chemical synthesis action space.☆46Updated 3 weeks ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆95Updated last week
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆41Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆43Updated 6 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆46Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆42Updated last year
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆31Updated 8 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆37Updated 7 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆24Updated last month
- ☆48Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆106Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆46Updated last year
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆39Updated 9 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆117Updated 8 months ago
- ☆33Updated last week
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 10 months ago
- ☆55Updated 2 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆91Updated 6 months ago
- Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"☆82Updated 4 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- Papers about Structure-based Drug Design (SBDD)☆93Updated 2 months ago
- A new retrieval-based framework for controllable molecule generation.☆47Updated last year
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆42Updated 8 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆49Updated 3 weeks ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆46Updated last year
- MDM☆47Updated last year
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆97Updated 5 months ago