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1. SeqPredNN SeqPredNN Public

   Neural network for predicting amino acid sequences from protein conformations

   Python 9 6

2. motif-conformation-finder motif-conformation-finder Public

   Python script to find all instances of an amino acid sequence motif in protein structures and parse their internal coordinates

   Python 3

3. prolyl-isomerisation-benchmark prolyl-isomerisation-benchmark Public

   Essential files and scripts to replicate the results of my benchmark of DFT functionals for N-acetylproline N'-methylamide cis-trans isomerisation

   Python