GattiMh

Pinned Repositories

• dgl-lifesci

  Python package for graph neural networks in chemistry and biology

  Language:Python7071783144

• PyRMD

  AI-powered Virtual Screening

  Language:Python745224

• delta_LinF9_XGB

  Language:Jupyter Notebook144

• WaterNetworkAnalysis

  Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis

  Language:Python15262

• LUNA

  Language:Jupyter Notebook4743013

• pycaret

  An open-source, low-code machine learning library in Python

  Language:Jupyter Notebook8.8k1342.3k1.8k

• DeepAffinity

  Protein-compound affinity prediction through unified RNN-CNN

  Language:Python13691530

• AIMSim

  A Python toolbox to work with molecular similarity

  Language:Python304994

• OnionNet-2

  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.

  Language:Python1641111

• onionnet

  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction

  Language:Python7641844

GattiMh's Repositories