danielvlla / Few-Shot-Learning-for-Low-Data-Drug-Discovery
Few-shot machine learning for low-data drug discovery.
☆18Updated 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
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆23Updated last year
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆33Updated last year
- Molecular SMILE generation with recurrent neural networks☆19Updated 6 months ago
- ☆13Updated 2 years ago
- ☆44Updated 4 years ago
- ☆28Updated last year
- Code for training machine learning model for reaction condition prediction☆39Updated 4 years ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 4 months ago
- The graph-convolutional neural network for pka prediction☆73Updated last year
- Materials from the 2022 UGM☆44Updated 2 years ago
- Supporting code for doi 10.1021/acs.jcim.0c01344☆22Updated 2 years ago
- ☆56Updated 11 months ago
- ☆12Updated 2 years ago
- ☆15Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- ☆20Updated last year
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆16Updated last year
- ☆19Updated last year
- ☆16Updated 2 years ago
- ☆25Updated last year
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Updated 9 months ago
- ☆37Updated last year
- Synthetic Bayesian Classification☆40Updated 4 years ago
- ☆26Updated last year
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆24Updated 2 months ago
- ☆17Updated 2 years ago
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Updated 3 years ago
- ☆29Updated 10 months ago