Popular repositories Loading

1. aizynthfinder aizynthfinder Public

   Forked from MolecularAI/aizynthfinder

   A tool for retrosynthetic planning

   Python 1

2. PRIN PRIN Public

   Forked from qq456cvb/PRIN

   Pointwise Rotation-Invariant Network

   Python

3. askcos_synthesizability askcos_synthesizability Public

   Forked from wenhao-gao/askcos_synthesizability

   Jupyter Notebook

4. fragment-based-dgm fragment-based-dgm Public

   Forked from marcopodda/fragment-based-dgm

   Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)

   Python

5. ligdream ligdream Public

   Forked from playmolecule/ligdream

   Novel molecules from a reference shape!

   Jupyter Notebook

6. mmpdb mmpdb Public

   Forked from rdkit/mmpdb

   A package to identify matched molecular pairs and use them to predict property changes.

   Python