aced125 / AI_in_Drug_Discovery_ProgressLinks
An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery
☆43Updated 5 years ago
Alternatives and similar repositories for AI_in_Drug_Discovery_Progress
Users that are interested in AI_in_Drug_Discovery_Progress are comparing it to the libraries listed below
Sorting:
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 4 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆43Updated 6 years ago
- ☆45Updated 3 years ago
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆63Updated 3 years ago
- ☆67Updated 5 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆141Updated 3 months ago
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆103Updated 4 years ago
- DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences☆76Updated 3 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 4 years ago
- Protein-compound affinity prediction through unified RNN-CNN☆147Updated last year
- source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molec…☆103Updated 2 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 3 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆93Updated 4 years ago
- Speed virtual screening by 50X☆94Updated 2 years ago
- machine learning, molecular descriptor☆116Updated 2 years ago
- ☆37Updated 4 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- ☆36Updated 3 years ago
- Paratope Prediction using Deep Learning☆60Updated 2 years ago
- Fusion models for Atomic and molecular STructures (FAST)☆91Updated 2 years ago
- ☆46Updated 2 years ago
- ☆97Updated 5 years ago
- Computes a molecular graph for protein structures.☆58Updated last week
- Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods☆46Updated 6 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆69Updated 4 years ago
- ☆17Updated 5 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆165Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆122Updated last year
- ☆50Updated 4 years ago