KyGao / ABGNNLinks
PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"
☆51Updated last year
Alternatives and similar repositories for ABGNN
Users that are interested in ABGNN are comparing it to the libraries listed below
Sorting:
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- ☆40Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆110Updated 4 months ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated last year
- Code for 'On Pre-trained Language Models For Antibody'☆33Updated 2 years ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆95Updated last year
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆58Updated last year
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆86Updated 5 months ago
- This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.☆95Updated 2 years ago
- Official repository of ReactZyme☆33Updated 8 months ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆41Updated 8 months ago
- [ICLR2025] Official Implementation of IgGM: A Generative Model for Functional Antibody and Nanobody Design☆73Updated last month
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 2 weeks ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- ☆42Updated 2 years ago
- Official implementation of "Learning the language of protein structures"☆33Updated this week
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆89Updated 2 years ago
- ☆39Updated last week
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated last year
- The first large protein language model trained follows structure instructions.☆81Updated last month
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆41Updated last year
- ☆17Updated 10 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆40Updated last year
- An awesome & curated list of docking papers☆113Updated 3 months ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 2 years ago
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆48Updated last year
- Codes for our paper "UniMoMo: Unified Generative Modeling of 3D Molecules for De Novo Binder Design" (ICML 2025)☆33Updated 3 weeks ago
- ☆73Updated 4 months ago
- Code and Data for the paper: Multi-level Protein Structure Pre-training with Prompt Learning [ICLR 2023]☆33Updated last year
- [ICML-23 ORAL] ProtST: Multi-Modality Learning of Protein Sequences and Biomedical Texts☆97Updated last year