protein-drug-interactions

There are 0 repository under protein-drug-interactions topic.

• rxdock / rxdock

  RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]

  dockingmolecular-dockingvirtual-screeningligand-screeningdrug-discoveryprotein-drug-interactionsprotein-ligand-dockingprotein-ligand-interactionsprotein-ligand-binding-conformationprotein-ligand-interfacescxxcxx11pythonpython3
  Language:C++ 67

• sbl-sdsc / mmtf-genomics

  Methods for mapping genomic data onto 3D protein structure.

  genomicsmutationsprotein-structureprotein-data-bankdbsnpprotein-protein-interactionprotein-ligand-interactionsprotein-drug-interactionspysparkmmtf-pysparkbindercyverse
  Language:Jupyter Notebook 27
• sandres

  azevedolab / sandres

  SAnDReS (Statistical Analysis of Docking Results and Scoring functions) is a free and open-source computational environment for the development of machine-learning models for the prediction of ligand-binding affinity. We developed SAnDReS using Python programming language, and SciPy, NumPy, scikit-learn, and Matplotlib libraries as a computational

  sandresdockingprotein-ligandpythonimachine-learningprotein-drug-interactionsscikit-learnscoring-function-space
  Language:Python 14

• azevedolab / SFSXplorer

  Computational tool to explore the scoring fucntion space

  dockingmachine-learningpythonscikit-learnproteinprotein-drug-interactionsprotein-structurescoring-functionsscoring-function-space
  Language:Python 3

• brian-zZZ / PDI_fusionner

  This is the official repo of paper: Multi-modal Protein-Drug Interaction Prediction Via Attention-based Network. Code and pretrained model weights are available here.

  attention-mechanismgraph-attention-networksprotein-drug-interactionsrepresentation-learningtransformer
  Language:Python 0