JU-HuaY / MMDG-DTILinks
☆8Updated 2 months ago
Alternatives and similar repositories for MMDG-DTI
Users that are interested in MMDG-DTI are comparing it to the libraries listed below
Sorting:
- structure-based explanation methods☆26Updated last year
- ☆13Updated 6 months ago
- 3D_Molecular_Generation☆96Updated 7 months ago
- ☆21Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆67Updated 7 months ago
- Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)☆12Updated 7 months ago
- ☆37Updated last year
- ☆10Updated last year
- ☆114Updated 11 months ago
- ☆62Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆67Updated 2 years ago
- ☆9Updated 4 years ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆13Updated 3 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆32Updated last year
- ☆133Updated 8 months ago
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆38Updated 2 months ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆68Updated last year
- ☆38Updated last year
- ☆101Updated 2 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆61Updated last year
- 小白入门DTA方向,GraphDTA作为经典的DTA模型,对于python基础不好,深度学习代码实操不强者,本github将代码细致的进行注释阐述,旨在记录学习过程,帮助更多入门者尽快入门!☆22Updated 2 years ago
- MGA☆43Updated 4 years ago
- ☆43Updated last year
- Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.☆19Updated 8 months ago
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆40Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆14Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆53Updated last month
- ☆13Updated 8 months ago