igashov / RetroBridgeLinks
RetroBridge: Markov Bridge Model for Retrosynthesis Planning
☆33Updated last year
Alternatives and similar repositories for RetroBridge
Users that are interested in RetroBridge are comparing it to the libraries listed below
Sorting:
- Official implementation of pre-training via denoising for TorchMD-NET☆99Updated 2 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆110Updated 2 years ago
- A GFlowNet with a chemical synthesis action space.☆109Updated 11 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆80Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆103Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆174Updated 3 weeks ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆57Updated 5 months ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆51Updated 3 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆50Updated 2 years ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆52Updated 2 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆131Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆41Updated 9 months ago
- generative model for drug discovery☆64Updated 2 months ago
- Official repository for MolCRAFT series☆135Updated 2 months ago
- ☆27Updated last year
- Pose checks for 3D Structure-based Drug Design methods☆92Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆39Updated 6 months ago
- Efficient 3D molecular generation with flow-matching and Semla☆52Updated 5 months ago
- ☆60Updated last year
- ☆61Updated 3 years ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆41Updated last year
- ☆73Updated 2 years ago
- ☆34Updated 11 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆53Updated 3 weeks ago
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆53Updated last year
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆40Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆104Updated 9 months ago
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆87Updated last year
- ☆59Updated 6 months ago