ndonyapour

ndonyapour's Stars

• nicola-decao/MolGAN

  Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs

  Language:Python2708988

• ADicksonLab/wepy

  Weighted Ensemble simulation framework in Python

  Language:Python5495720

• PolusAI/sophios

  A domain specific language for creating scientific pipelines

  Language:Python165216

• dlukauskis/funnel_maker

  Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.

  Language:Jupyter Notebook13103

• ADicksonLab/flexibletopology

  ML-based molecular representation models using PyTorch

  Language:Python11413

• PolusAI/mm-workflows

  Molecular modeling workflows and extensions for workflow inference compiler

  Language:Common Workflow Language55012