DanyeongLee / DiSCOLinks
[AAAI'24] DiSCO: Diffusion Schrödinger Bridge for Molecular Conformer Optimization
☆16Updated 11 months ago
Alternatives and similar repositories for DiSCO
Users that are interested in DiSCO are comparing it to the libraries listed below
Sorting:
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆49Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆64Updated 11 months ago
- Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)☆66Updated 11 months ago
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆38Updated 2 months ago
- Code for Pre-training Protein Encoder via Siamese Sequence-Structure Diffusion Trajectory Prediction (https://arxiv.org/abs/2301.12068)☆41Updated 2 years ago
- [Nat. Comm. 2024] Multimodal learning for chemical domain, with SMILES and properties.☆40Updated 6 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆48Updated 2 years ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆96Updated 2 years ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆36Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆92Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)☆58Updated 4 months ago
- The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)☆63Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆75Updated last month
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆40Updated last year
- Aligned Diffusion Schroedinger Bridges (UAI 2023)☆12Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆58Updated last year
- [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen☆51Updated last year
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆83Updated last month
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆111Updated last week
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆103Updated 10 months ago
- Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆72Updated 8 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆47Updated last year
- ☆23Updated 5 months ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆54Updated last year
- Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…☆75Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆85Updated 3 months ago