Molecular Modelling. Molecular dynamics, computer-aided drug design, and allosterism. I used software, not created them. I was a PhD student in a past life.
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This repo includes ChatGPT prompt curation to use ChatGPT better.
A collection of resources and papers on Diffusion Models
Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)