igashov / RetroBridgeLinks
RetroBridge: Markov Bridge Model for Retrosynthesis Planning
☆31Updated 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☆96Updated 2 years ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆121Updated last week
- A GFlowNet with a chemical synthesis action space.☆84Updated 6 months ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆50Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆40Updated 3 weeks ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆108Updated 2 years 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
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆48Updated 2 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated last year
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- generative model for drug discovery☆64Updated last month
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆107Updated 11 months ago
- ☆33Updated 6 months ago
- Official repository for MolCRAFT series☆113Updated last month
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆38Updated 4 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆41Updated last year
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆54Updated last year
- ☆27Updated last year
- Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)☆39Updated last year
- ☆49Updated last month
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- ☆58Updated 2 years ago
- ☆35Updated 4 months ago
- This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…☆65Updated last year
- ☆59Updated 8 months ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆29Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- A new retrieval-based framework for controllable molecule generation.☆49Updated 2 years ago