yjh126yjh / TianChi_Protein-Secondary-Structure-Prediction
天池蛋白质结构预测大赛 排名3/241
☆18Updated 11 months ago
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
- a deep learning architecture for protein-ligand binding affinity prediction☆71Updated last year
- ☆48Updated last year
- Proof of the concept implementation of smiles2vec paper☆32Updated 5 years ago
- ☆12Updated 3 years ago
- semi-supervised learning for molecular property prediction☆51Updated 3 years ago
- a novel DTA predition method using graph neural network☆73Updated last year
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 4 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆56Updated last year
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- molecular dynamics simulation and analysis. 分子动力学模拟和分析。☆37Updated 5 years ago
- ☆43Updated 4 years ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆54Updated 2 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆63Updated 3 weeks ago
- ☆93Updated 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
- All the handy little scripts for cheminformatics related projects☆32Updated last year
- ☆41Updated last year
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆114Updated 5 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…☆59Updated last year
- ☆42Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆40Updated 6 months ago
- ☆10Updated last year
- ☆53Updated last year
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆77Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆43Updated last year
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆64Updated 5 months ago
- 3D_Molecular_Generation☆80Updated last month
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆100Updated 4 years ago
- ☆48Updated last year