myprecioushh / ZeroBind
☆20Updated 7 months ago
Related projects ⓘ
Alternatives and complementary repositories for ZeroBind
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆29Updated 9 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 6 months ago
- ☆24Updated 7 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆60Updated 6 months ago
- Graph variational encoders for drug engineering and potentiation☆25Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆30Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆42Updated last year
- ☆35Updated last year
- Molecule Optimization via Fragment-based Generative Models☆38Updated last year
- ☆29Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆27Updated 8 months ago
- ☆92Updated 3 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆81Updated 4 months ago
- ☆60Updated 10 months ago
- ☆62Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆48Updated 10 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆21Updated 9 months ago
- ☆13Updated 7 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆43Updated last year
- ☆43Updated 2 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 2 weeks ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆32Updated last month
- ☆10Updated last year
- ☆48Updated 10 months ago
- ☆20Updated last month
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆29Updated last year
- An awesome & curated list of docking papers☆77Updated last month
- ☆48Updated 2 years ago