yjh126yjh / TianChi_Protein-Secondary-Structure-Prediction
天池蛋白质结构预测大赛 排名3/241
☆18Updated last year
Alternatives and similar repositories for TianChi_Protein-Secondary-Structure-Prediction:
Users that are interested in TianChi_Protein-Secondary-Structure-Prediction are comparing it to the libraries listed below
- 2020天池大赛,蛋白质结构预测大赛TOP1方案分享☆100Updated 4 years ago
- ☆12Updated 3 years ago
- ☆46Updated 5 months ago
- a deep learning architecture for protein-ligand binding affinity prediction☆71Updated last year
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆114Updated 6 months ago
- ☆48Updated last year
- ☆15Updated 3 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆52Updated 4 years ago
- ☆44Updated 4 years ago
- semi-supervised learning for molecular property prediction☆51Updated 3 years ago
- All the handy little scripts for cheminformatics related projects☆33Updated 2 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆56Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated 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!☆18Updated last year
- ☆42Updated 4 years ago
- DeepCDA☆13Updated 4 years ago
- ☆93Updated last year
- a novel DTA predition method using graph neural network☆74Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆139Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆39Updated last year
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆53Updated 2 years ago
- Proof of the concept implementation of smiles2vec paper☆32Updated 5 years ago
- ☆41Updated last year
- Some tutorials on how to use AMBER simulation package. Especially for Amber22+AmberTools23.☆15Updated 3 months ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- 毕业设计 蛋白质二级结构预测☆23Updated 3 years ago
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆38Updated 5 years ago
- ☆10Updated last year