smiles724 / Awesome-Diffusion-Models-for-ScienceLinks
☆26Updated 2 years ago
Alternatives and similar repositories for Awesome-Diffusion-Models-for-Science
Users that are interested in Awesome-Diffusion-Models-for-Science are comparing it to the libraries listed below
Sorting:
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated 11 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆64Updated 11 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- Papers about Structure-based Drug Design (SBDD)☆118Updated 7 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
- Geometry Deep Learning for Drug Discovery and Life Science☆70Updated last year
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆38Updated 3 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆48Updated 2 years ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- Molecular Hypergraph Neural Network☆38Updated 2 weeks ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 10 months ago
- ☆41Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆122Updated last year
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆90Updated 6 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆92Updated 2 years ago
- Graph Denoising Diffusion for Inverse Protein Folding(NeurIPS 2023)☆66Updated last year
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆17Updated last year
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆41Updated 9 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆96Updated 2 years ago
- ☆127Updated last month
- A curated list of papers related to molecular diffusion models.☆48Updated last month
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆53Updated 4 months ago
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- Code for paper: "Removing Biases from Molecular Representations via Information Maximization"☆20Updated last year
- Official repository for MolCRAFT series☆104Updated this week
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆30Updated 10 months ago
- generative model for drug discovery☆63Updated this week
- [Briefings in Bioinformatics] A Survey of Generative AI for de novo Drug Design☆87Updated 7 months ago