georgehodgin Goto Github PK
Type: User
georgehodgin's Projects
da_summer_school_hackathon
fragmenting
Breaking OPRD down into minimum representative fragments to build molecular library
georgehodgin.github.io
oprd
Classification of reactions published in the OPRD journal using approximate nearest neighbour indexing
rdkit
The official sources for the RDKit library
roar
Code to analyse IR spectra from reactions on N-nitrosamines
solubility
hyperparameter optimisation of solubility prediction via various ML methods
yield
Predictin reaction yields via machine learnig
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