danielvlla / Few-Shot-Learning-for-Low-Data-Drug-DiscoveryLinks
Few-shot machine learning for low-data drug discovery.
☆19Updated 3 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:
- ☆16Updated 3 years ago
- Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).☆53Updated 5 years ago
- ☆39Updated 5 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated 2 years ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆52Updated 2 years ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆49Updated 5 years ago
- Mol-Opt: a toolbox for molecular design☆23Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Chemical representation learning paper in Digital Discovery☆63Updated last year
- A simple molecule fragmentation method.☆38Updated 2 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆63Updated last year
- Code Space of SynLlama☆37Updated last week
- Synthetic Bayesian Classification☆47Updated 4 years ago
- ☆47Updated 5 years ago
- ☆45Updated 3 years ago
- ☆56Updated last year
- Python for chemoinformatics☆51Updated 6 years ago
- Tools to train synthesis prediction models☆28Updated last year
- Conformer multi-instance machine Learning☆59Updated last month
- ☆27Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆36Updated 5 months ago
- ☆15Updated 4 years ago
- ☆38Updated 4 years ago
- The graph-convolutional neural network for pka prediction☆90Updated last year
- graph generative model for molecule☆40Updated 5 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Updated 4 years ago
- ☆18Updated 3 years ago
- An integrated negative design python library for desirable HTS/VS database design☆45Updated 2 years ago
- ☆26Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year