danielvlla / Few-Shot-Learning-for-Low-Data-Drug-DiscoveryLinks
Few-shot machine learning for low-data drug discovery.
☆19Updated 2 years ago
Alternatives and similar repositories for Few-Shot-Learning-for-Low-Data-Drug-Discovery
Users that are interested in Few-Shot-Learning-for-Low-Data-Drug-Discovery are comparing it to the libraries listed below
Sorting:
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- Molecular SMILE generation with recurrent neural networks☆19Updated 10 months ago
- ☆26Updated last year
- ☆17Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆31Updated this week
- ☆14Updated 2 years ago
- ☆31Updated 5 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆47Updated last year
- HamidHadipour / Deep-clustering-of-small-molecules-at-large-scale-via-variational-autoencoder-embedding-and-K-means☆16Updated last year
- The graph-convolutional neural network for pka prediction☆80Updated last year
- Synthetic Bayesian Classification☆43Updated 4 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Updated 4 years ago
- ☆28Updated last year
- ☆22Updated 9 months ago
- Code for training machine learning model for reaction condition prediction☆42Updated 5 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆31Updated last year
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 7 months ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆51Updated 5 years ago
- ☆15Updated 2 years ago
- ☆22Updated last year
- Python for chemoinformatics☆51Updated 6 years ago
- Retrosynthetic prediction with Atom Environments☆37Updated 2 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆60Updated last year
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.☆54Updated 2 months ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- ☆37Updated 4 years ago
- ☆20Updated 2 years ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆19Updated last month