A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
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WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
a molecular descriptor calculator
Descriptor computation(chemistry) and (optional) storage for machine learning
A script to run structural alerts using the RDKit and ChEMBL
ChemMine Tools: open source web framework for small molecule analysis
WebGL molecule viewer made with Babylon.js
Generative models for transcriptomic-driven or protein-driven molecular design (PaccMann^RL).
- deep-reinforcement-learning
- generative-model
- vae
- molecule-generation