Nanotekton / drugabilityLinks
☆11Updated 4 years ago
Alternatives and similar repositories for drugability
Users that are interested in drugability are comparing it to the libraries listed below
Sorting:
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆24Updated 4 months ago
- Retrosynthetic prediction with Atom Environments☆38Updated 2 years ago
- ☆25Updated 6 years ago
- graph generative model for molecule☆40Updated 6 years ago
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆29Updated 6 years ago
- MGA☆44Updated 4 years ago
- Code for training machine learning model for reaction condition prediction☆46Updated 5 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆75Updated last year
- Graph based Reaction Template Extraction☆34Updated 5 months ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Updated last year
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆41Updated 5 years ago
- ☆26Updated last year
- Applying deep neural networks for retrosynthesis tasks☆37Updated 5 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- pre-training BERT with molecular data☆50Updated 4 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆70Updated 4 years ago
- Molecular vectorization and batch generation☆50Updated 4 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Updated 4 years ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Updated 5 years ago
- ☆16Updated 6 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆34Updated last year
- Molecule Optimization via Fragment-based Generative Models☆43Updated 2 years ago
- ☆32Updated 5 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆56Updated last year
- ☆48Updated 6 years ago
- ☆42Updated 3 years ago
- ☆45Updated 3 years ago
- Smash molecule and obtain significant fragments☆19Updated 4 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Updated 4 years ago