Page Index - dkoes/docs GitHub Wiki

36 page(s) in this GitHub Wiki:

• Home
• Koes Research Group
• Removing barriers to computational drug discovery one bit at a time
• General logistics
• Presentations
• Background Reading
• Creating a Poster
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• Getting Connected
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• Gnina
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• Molecular Dynamics
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• PyMOL
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• Recording model performance with Weights and Biases
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• Setting up your Linux Environment
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• Training and Debugging Neural Networks
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• Useful Linux Commands
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• Using mdpocket fpocket
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• Using the Cluster CPU
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• Using the Cluster GPU
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• Using tmux
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• Version Control with git
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• Virtual Screening
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