myprecioushh / ZeroBind
☆21Updated 9 months ago
Alternatives and similar repositories for ZeroBind:
Users that are interested in ZeroBind are comparing it to the libraries listed below
- ☆24Updated 10 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 9 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 8 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆91Updated 7 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆19Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆10Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆26Updated 11 months ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated 8 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated 11 months ago
- Graph variational encoders for drug engineering and potentiation☆28Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆77Updated 9 months ago
- Molecule Optimization via Fragment-based Generative Models☆40Updated last year
- MGA☆42Updated 4 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆33Updated 4 months ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- ☆46Updated 5 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 4 months ago
- ☆39Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆62Updated 9 months ago
- ☆31Updated 7 months ago
- ☆66Updated last year
- ☆62Updated 2 years ago
- ☆28Updated 9 months ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆46Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆30Updated last year
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆50Updated last year