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Getting Started with Molecular Simulation in FIRST

A guide for new students getting started on the FIRST Center Project under Peter Cummings. We have compiled a list of articles and various resources to help get started.

Table of Contents

  • Molecular Dynamics: How to start running MD simulations
  • Software: Running and developing Python code
  • MoSDef: Using the molecular simulation and design framework for FIRST research
  • Analysis: How to analyze your data
  • Recent Work: Research that may be helpful to you