Page Index - dkoes/docs GitHub Wiki

21 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
• Getting Connected
• Gnina
• Molecular Dynamics
• PyMOL
• Recording model performance with Weights and Biases
• Setting up your Linux Environment
• Training and Debugging Neural Networks
• Useful Linux Commands
• Using mdpocket fpocket
• Using the Cluster CPU
• Using the Cluster GPU
• Using tmux
• Version Control with git
• Virtual Screening