Pinned Loading

1. direct_capstone direct_capstone Public

   Repository for the direct capstone project. Application of molecular data science for studying phthalate plasticizers

   Jupyter Notebook 1

2. dockstring dockstring Public

   Jupyter Notebook

3. mol_opt mol_opt Public

   Forked from wenhao-gao/mol_opt

   Python

4. TDC TDC Public

   Forked from mims-harvard/TDC

   Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science

   Jupyter Notebook

5. vagrant_sampling vagrant_sampling Public

   Forked from oriondollar/vagrant_en

   A 3D equivariant graph-to-string translation VAE for de novo molecular design

   Python

6. oriondollar/TransVAE oriondollar/TransVAE Public

   A Transformer Based VAE Architecture for De Novo Molecular Design

   Jupyter Notebook 101 25