Popular repositories Loading

1. DeLinker DeLinker Public

   Forked from oxpig/DeLinker

   Python

2. Reinvent Reinvent Public

   Forked from MolecularAI/Reinvent

   Python

3. inverse-molecular-design inverse-molecular-design Public

   Forked from GLambard/inverse-molecular-design

   Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and/or drugs with specific target properties.

   HTML

4. chemlg chemlg Public

   Forked from hachmannlab/chemlg

   ChemLG is a smart and massive parallel molecular library generator for chemical and materials sciences.

   Python

5. DrugEx DrugEx Public

   Forked from XuhanLiu/DrugEx

   Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology

   Python

6. ReLeaSE ReLeaSE Public

   Forked from isayev/ReLeaSE

   Deep Reinforcement Learning for de-novo Drug Design

   Jupyter Notebook