aced125 / AI_in_Drug_Discovery_Progress
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
- Protein-compound affinity prediction through unified RNN-CNN☆139Updated 7 months ago
- Speed virtual screening by 50X☆90Updated last year
- Paratope Prediction using Deep Learning☆59Updated last year
- a novel DTA predition method using graph neural network☆74Updated last year
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆77Updated 4 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆51Updated last year
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 4 years ago
- InterpretableDTIP☆19Updated 6 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆66Updated 3 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 5 years ago
- Molecular vectorization and batch generation☆51Updated 3 years ago
- ☆66Updated 4 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆49Updated last year
- ☆44Updated 4 years ago
- Protein Interface Prediction using Graph Convolutional Networks☆92Updated 4 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆62Updated 2 years ago
- ☆68Updated 2 years ago
- Fusion models for Atomic and molecular STructures (FAST)☆91Updated last year
- a deep learning architecture for protein-ligand binding affinity prediction☆71Updated last year
- ☆79Updated 2 years ago
- Database of Interacting Protein Structures (DIPS)☆96Updated last year
- ☆44Updated 3 years ago
- ☆121Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆61Updated 8 months ago
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆102Updated 3 years ago
- ☆126Updated 2 years ago
- ☆17Updated 4 years ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆160Updated last year
- ☆45Updated 2 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago