Published inThe StartupTransformers Are Not Only for NLPJust in case you hadn’t realized by now…And they may have spurred the biggest scientific discovery of the decadeJan 10, 2021Jan 10, 2021
Published inTowards Data SciencePractical Graph Neural Networks for Molecular Machine LearningUp until recently, practitioners would use molecular fingerprints (essentially one-hot encodings of different molecular substructures) as…Dec 20, 20193Dec 20, 20193
Published inTowards Data ScienceTeaching AI how to do Quantum MechanicsComputing quantum mechanical properties of compounds like its atomization energy accurately can take hours to weeks using conventional…Aug 6, 20192Aug 6, 20192
Published inTowards Data ScienceA Practical Introduction to the Use of Molecular Fingerprints in Drug DiscoveryMolecular fingerprints are used in drug discovery for many reasons. Today we will focus on their use in the prediction of drug binding…Jul 2, 20193Jul 2, 20193
Published inTowards Data ScienceRandom Matrix Theory: The Best Classifier for prediction of Drug Binding?The prediction of binding affinities of small molecules (drugs that aren’t proteins/biologics) is just one component of the drug discovery…Jul 2, 20197Jul 2, 20197
Published inAnalytics VidhyaPractical Introduction to Hartree-Fock Algorithm using PythonWe will write the Hartree-Fock Algorithm from scratch in PythonMay 7, 20194May 7, 20194
Clearing up space on the hard drive quicklyUse Python to find the most space-consuming folders on your PCMay 6, 2019May 6, 2019
