sarpaykent / GBPNetLinks
☆21Updated 3 years ago
Alternatives and similar repositories for GBPNet
Users that are interested in GBPNet are comparing it to the libraries listed below
Sorting:
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆49Updated 2 years ago
- The code for NeurIPS 2023 paper DSR☆13Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- ☆22Updated 4 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆59Updated last year
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆17Updated 3 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Updated 2 years ago
- ☆32Updated 2 years ago
- ☆30Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆33Updated last year
- Reaction-Conditioned Virtual Screening of Enzymes☆40Updated 5 months ago
- ☆36Updated last week
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 2 months ago
- ☆60Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- generative model for drug discovery☆64Updated last month
- Calculate the RMSD between two protein structures