KSUN63 / DeepDTA-PytorchLinks
Pytorch Implementation of the original DeepDTA paper (https://github.com/hkmztrk/DeepDTA/)
☆9Updated 6 months ago
Alternatives and similar repositories for DeepDTA-Pytorch
Users that are interested in DeepDTA-Pytorch are comparing it to the libraries listed below
Sorting:
- ☆66Updated 2 years ago
- ☆60Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆34Updated last year
- ☆21Updated last year
- Multi_CycGT: A DL-Based Multimodal Model for Membrane Permeability Prediction of Cyclic Peptides☆14Updated 5 months ago
- 3D_Molecular_Generation☆91Updated 6 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆46Updated 3 weeks ago
- ☆113Updated 9 months ago
- my own studied materials and scripts☆50Updated last month
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆12Updated 3 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated 2 weeks ago
- ☆10Updated last year
- ☆74Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆12Updated 5 months ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆13Updated 10 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…☆66Updated last year
- Diffusion model based protein-ligand flexible docking method☆105Updated 7 months ago
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆43Updated 3 years ago
- K-BERT for molecular property prediction.☆30Updated 2 years ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- structure-based explanation methods☆26Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆61Updated 11 months ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆76Updated last month
- ☆37Updated last year
- ☆17Updated 2 years ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆14Updated 6 years ago
- ☆10Updated 3 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago