myprecioushh / ZeroBind
☆23Updated last year
Alternatives and similar repositories for ZeroBind
Users that are interested in ZeroBind are comparing it to the libraries listed below
Sorting:
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- ☆26Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆83Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- MGA☆42Updated 4 years ago
- ☆24Updated 7 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- ☆10Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆74Updated last year
- ☆28Updated 2 years ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆27Updated 3 months ago
- ☆33Updated 6 months ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆39Updated this week
- ☆54Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆33Updated last year
- my own studied materials and scripts☆50Updated last month
- ☆26Updated last month
- ☆64Updated 2 years ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 7 months ago
- 3D_Molecular_Generation☆89Updated 5 months ago
- ☆40Updated last year
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆52Updated 2 months ago
- ☆17Updated 4 months ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆42Updated 6 months ago