smiles724 / GNN-BottleneckLinks
☆41Updated 5 months ago
Alternatives and similar repositories for GNN-Bottleneck
Users that are interested in GNN-Bottleneck are comparing it to the libraries listed below
Sorting:
- Reaction-Conditioned Virtual Screening of Enzymes☆40Updated 5 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Official repository of ReactZyme☆37Updated last year
- ☆75Updated 9 months ago
- PoseX: A Molecular Docking Benchmark☆59Updated 5 months ago
- ☆39Updated 6 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆44Updated last month
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆46Updated last year
- S-PLM: Structure-aware Protein Language Model via Contrastive Learning between Sequence and Structure☆69Updated 3 weeks ago
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Updated last year
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆38Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 2 months ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- ☆34Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆52Updated last year
- ☆27Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆49Updated 2 years ago
- ☆63Updated 5 months ago
- 🧬 Fusion of protein sequence and structural information, using denoising pre-training network for zero-shot protein engineering (eLife 2…☆78Updated 6 months ago
- ☆26Updated last year
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆50Updated 3 months ago
- ☆54Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆37Updated last year
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆80Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆121Updated 9 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆59Updated last year