wenchangzhou-qtx

Pinned Repositories

• acegen-open

  Language models for drug discovery using torchrl

  Language:Python7941113

• DiffLinker

  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

  Language:Python31951345

• PMDM

  Language:Python12124725

• a3fe

  Automated Adaptive Absolute alchemical Free Energy calculator

  Language:Python8841710

• MolScore

  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

  Language:Python17121428

• SMILES-RNN

  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation

  Language:Python492610

• openfe

  The Open Free Energy toolkit

  Language:Python156754825

• Interformer

  Language:Jupyter Notebook8422213

wenchangzhou-qtx's Repositories