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This is an application of personalization-weight-PageRank in drug development. It is designed for simplified the calculation of molecular dynamics simulations between large numbers of proteins and small molecule drug/pharmacophores based on Markov decision process (MDP).

License: Mozilla Public License 2.0

Python 100.00%
drug-discovery pagerank unsupervised-learning

pagerank-weight-drug's Introduction

  • 👋 Hi, I’m @FeiLiuEM
  • 👀 I’m interested in AI guided drug discovery.
  • 🌱 I’m currently learning CLIP.
  • 📫 [email protected].
  • Ph.D of Emergency Medicine.
  • Graduate from Xuzhou Medical University and Zhejiang University.
  • Now work in Nanjing Drum Tower hospital.

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