lijianing0902 / CProMGLinks
☆12Updated last year
Alternatives and similar repositories for CProMG
Users that are interested in CProMG are comparing it to the libraries listed below
Sorting:
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆77Updated 2 years ago
- ☆54Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆33Updated 3 years ago
- ☆40Updated last year
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Updated 2 years ago
- ☆16Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆15Updated 3 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆123Updated last month
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆154Updated this week
- ☆29Updated 6 months ago
- ☆59Updated last year
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆13Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆111Updated 2 years ago
- ☆10Updated 2 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Antibody-Antigen Docking and Affinity Benchmark☆75Updated 5 years ago
- ☆26Updated last year
- Pretrainable geometric graph neural network for antibody affinity maturation☆70Updated 10 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆52Updated 5 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆102Updated 2 weeks ago
- ☆21Updated last year
- ☆74Updated 2 years ago
- ☆145Updated 5 months ago
- ☆81Updated 2 years ago
- Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》…☆21Updated 5 months ago
- ☆131Updated last year
- ☆23Updated 2 years ago